SCHEMBL3938679

SCHEMBL3938679

CC1=C(C)C(=O)C(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.34
CA9 Q16790 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11547215 0.76 CA1 (0.33) CA1CA2CA4KMT2A
SCHEMBL15962414 0.76 CA1 (0.33) CA1CA2CA4KMT2A
SCHEMBL4435103 0.74
SCHEMBL2806741 0.74
SCHEMBL14648615 0.73 CA1 (0.31) CA1CA2CA4KMT2A
SCHEMBL511158 0.70
SCHEMBL8695738 0.70 CA1 (0.36) CA1CA2CA4KMT2ACA9
SCHEMBL8470349 0.70 NOS3 (0.30) NOS3NOS2
SCHEMBL4776963 0.69 ACHE (0.36)
SCHEMBL159498 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370643-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-05-22 EP claimed
CN-117616108-A Use of 2,3, 6-trimethyl-2-cyclohexen-1-one as a fragrance ingredient 巴斯夫欧洲公司 2024-02-27 CN claimed
CN-117342920-A Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof 西北工业大学 2024-01-05 CN claimed
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO claimed
CN-108191599-B Four-membered ring fuel molecule and photochemical preparation method thereof 天津大学 2020-08-04 CN claimed
US-10689309-B1 Fused-ring alkane fuel and photocatalytic preparation process thereof TIANJIN UNIVERSITY (CN) 2020-06-23 US claimed
US-20200181040-A1 Fused-ring alkane fuel and photocatalytic preparation process thereof TIANJIN UNIVERSITY (CN) 2020-06-11 US claimed
WO-2020010494-A1 FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF 天津大学 2020-01-16 WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
EP-1907120-A1 CATALYST WITH BIMODAL DISTRIBUTION OF THE PARTICLES OF THE CATALYTICALLY ACTIVE MATERIAL, METHOD FOR THE PRODUCTION THEREOF AND FOR THE REGENERATION THEREOF AND THE USE OF THE CATALYST BASF SE (DE) 2008-04-09 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
WO-2007009904-A1 CATALYST WITH BIMODAL DISTRIBUTION OF THE PARTICLES OF THE CATALYTICALLY ACTIVE MATERIAL, METHOD FOR THE PRODUCTION THEREOF AND FOR THE REGENERATION THEREOF AND THE USE OF THE CATALYST BASF AKTIENGESELLSCHAFT (DE) 2007-01-25 WO claimed
EP-0093880-B1 PROCESS FOR THE PREPARATION OF 2,3,5-TRIMETHYL-P-BENZOQUINONE BASF Aktiengesellschaft (DE) 1985-11-06 EP claimed
US-4538009-A Preparation of substituted phenols BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US claimed
US-4491545-A Preparation of 2,3,5-trimethyl-p-benzoquinone BASF AKTIENGESELLSCHAFT (DE) 1985-01-01 US claimed
EP-0093880-A1 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF Aktiengesellschaft (DE) 1983-11-16 EP claimed
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US claimed
US-20240300879-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-09-12 US disclosed
US-20240300879-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-09-12 US disclosed
EP-4370643-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-05-22 EP disclosed
EP-4370643-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-05-22 EP disclosed
EP-4370643-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2024-05-22 EP disclosed
CN-117616108-A Use of 2,3, 6-trimethyl-2-cyclohexen-1-one as a fragrance ingredient 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-117616108-A Use of 2,3, 6-trimethyl-2-cyclohexen-1-one as a fragrance ingredient 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-117616108-A Use of 2,3, 6-trimethyl-2-cyclohexen-1-one as a fragrance ingredient 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-117342920-A Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof 西北工业大学 2024-01-05 CN disclosed
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO disclosed
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO disclosed
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO disclosed
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO disclosed
CN-114080380-A 2- (2,4, 5-trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2022-02-22 CN disclosed
US-10689309-B1 Fused-ring alkane fuel and photocatalytic preparation process thereof TIANJIN UNIVERSITY (CN) 2020-06-23 US disclosed
US-20200181040-A1 Fused-ring alkane fuel and photocatalytic preparation process thereof TIANJIN UNIVERSITY (CN) 2020-06-11 US disclosed
WO-2020010494-A1 FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF 天津大学 2020-01-16 WO disclosed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
EP-1907120-A1 CATALYST WITH BIMODAL DISTRIBUTION OF THE PARTICLES OF THE CATALYTICALLY ACTIVE MATERIAL, METHOD FOR THE PRODUCTION THEREOF AND FOR THE REGENERATION THEREOF AND THE USE OF THE CATALYST BASF SE (DE) 2008-04-09 EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO disclosed
WO-2007009904-A1 CATALYST WITH BIMODAL DISTRIBUTION OF THE PARTICLES OF THE CATALYTICALLY ACTIVE MATERIAL, METHOD FOR THE PRODUCTION THEREOF AND FOR THE REGENERATION THEREOF AND THE USE OF THE CATALYST BASF AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
EP-0761630-B1 Process for preparing alkylphenols BASF AG (DE) 1999-12-01 EP disclosed
US-5817891-A Preparation of alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0761630-A1 Process for preparing alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed
EP-0475272-B1 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF AG (DE) 1995-01-11 EP disclosed
EP-0387820-B1 PROCESS FOR THE PREPARATION OF 2,3,5-TRIMETHYL-P-BENZOQUINONE BASF Aktiengesellschaft (DE) 1993-08-04 EP disclosed
EP-0475272-A2 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-5041572-A Oxidation of trimethylphenyl in presence of copper (II) halide catalyst and aliphatic alcohol solvent BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0387820-A2 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF Aktiengesellschaft (DE) 1990-09-19 EP disclosed
EP-0123233-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENOLS BASF Aktiengesellschaft (DE) 1988-11-02 EP disclosed
EP-0093880-B1 PROCESS FOR THE PREPARATION OF 2,3,5-TRIMETHYL-P-BENZOQUINONE BASF Aktiengesellschaft (DE) 1985-11-06 EP disclosed
US-4538009-A Preparation of substituted phenols BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
US-4491545-A Preparation of 2,3,5-trimethyl-p-benzoquinone BASF AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
US-4491545-A Preparation of 2,3,5-trimethyl-p-benzoquinone BASF AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
EP-0123233-A2 Process for the preparation of substituted phenols BASF Aktiengesellschaft (DE) 1984-10-31 EP disclosed
EP-0093880-A1 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF Aktiengesellschaft (DE) 1983-11-16 EP disclosed
EP-0093880-A1 Process for the preparation of 2,3,5-trimethyl-p-benzoquinone BASF Aktiengesellschaft (DE) 1983-11-16 EP disclosed
EP-0050229-B1 PROCESS FOR THE PREPARATION OF PRIMARY AROMATIC AMINES FROM CYCLIC ALCOHOLS AND/OR KETONES BASF Aktiengesellschaft (DE) 1983-09-28 EP disclosed
US-4355180-A Preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
EP-0050229-A1 Process for the preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF Aktiengesellschaft (DE) 1982-04-28 EP disclosed
US-4252693-A ORGANOLEPTIC FIRMENICH SA (CH) 1981-02-24 US disclosed
US-4179448-A TETRAMETHYL-1-OXA-SPIRO(4,5)DECA-3,6-DIENE FIRMENICH, S.A. (CH) 1979-12-18 US disclosed
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10689309-B1 Fused-ring alkane fuel and photocatalytic preparation process thereof CYP2E1, PDK3, NDUFV1 CA1 2883/4885CA2 3175/4885CA4 1826/4885
US-20240300879-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT CDYL, CDY1; CDY1B, CDYL2 CA1 1389/4885CA2 485/4885CA4 356/4885
US-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC CA1 3332/4885CA2 2301/4885CA4 972/4885
US-20200181040-A1 Fused-ring alkane fuel and photocatalytic preparation process thereof CYP2E1, PDK3, NDUFV1 CA1 2883/4885CA2 3175/4885CA4 1826/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.