SCHEMBL3679111

SCHEMBL3679111

CC1=CCC(C)C(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
POLE3 Q9NRF9 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL32678444 1.00 PTPN11 (0.36) PTPN11POLE3MEN1ALDH1A1KMT2A
SCHEMBL32678441 1.00 PTPN11 (0.36) PTPN11POLE3MEN1ALDH1A1KMT2A
SCHEMBL32678445 1.00 PTPN11 (0.36) PTPN11POLE3MEN1ALDH1A1KMT2A
SCHEMBL9717624 0.75
SCHEMBL7666958 0.71 MEN1 (0.47) PTPN11POLE3MEN1ALDH1A1KMT2A
SCHEMBL13383947 0.71 ACHE (0.32)
SCHEMBL719090 0.69
SCHEMBL18982983 0.68
SCHEMBL11859804 0.62 MEN1 (0.32) PTPN11POLE3MEN1ALDH1A1KMT2A
SCHEMBL13261993 0.62

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319647-B2 2-(2,4,5-trimethylcyclohex-2-en-1-yl)acetaldehyde and derivatives and their use as aroma chemicals BASF SE (DE) 2025-06-03 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 claimed
CN-114080380-B 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 2024-05-28 CN claimed
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
WO-2023285329-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT BASF SE (DE) 2023-01-19 WO claimed
US-20220274904-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2022-09-01 US claimed
EP-3997057-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2022-05-18 EP claimed
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 claimed
WO-2021005109-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-01-14 WO claimed
EP-0941980-A1 Process for the preparation of 2,5,6-trimethyl-cyclohex-2-en-1-on BASF AKTIENGESELLSCHAFT (DE) 1999-09-15 EP claimed
EP-0264924-B1 PROCESS FOR AUGMENTING THE YIELD OF 2,5,6-TRIMETHYLCYCLOHEXEN-2-ONE-1 BASF Aktiengesellschaft (DE) 1992-01-29 EP claimed
US-4820874-A REACTING DIETHYL KETONE AND CROTONALDEHYDE IN PRESENCE OF BASE; RECYCLING DISTILLATION RESIDUE BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 US claimed
EP-0035635-B2 PROCESS FOR THE PREPARATION OF TRIMETHYL BENZOQUINONE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-04-06 EP 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
EP-0035635-B1 PROCESS FOR THE PREPARATION OF TRIMETHYL BENZOQUINONE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-19 EP claimed
EP-0035635-A1 Process for the preparation of trimethyl benzoquinone F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-16 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20240300879-A1 USE OF 2,3,6-TRIMETHYL-2-CYCLOHEXEN-1-ONE AS AROMA INGREDIENT CDYL, CDY1; CDY1B, CDYL2 PTPN11 4260/4885POLE3 3986/4885MEN1 500/4885
US-20220274904-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS ADH5, ECH1, ALG3 PTPN11 4788/4885POLE3 3130/4885MEN1 1900/4885
US-12319647-B2 2-(2,4,5-trimethylcyclohex-2-en-1-yl)acetaldehyde and derivatives and their use as aroma chemicals ADH5, ECH1, ALG3 PTPN11 4788/4885POLE3 3130/4885MEN1 1900/4885

“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.