SCHEMBL1697989

SCHEMBL1697989

Cc1cccc(CC(C)(C)C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
IDO1 P14902 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CTBP2 P56545 1/20 0.39

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
SCHEMBL29845719 1.00 MEN1 (0.46) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL28925134 0.87 MEN1 (0.40) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL9748502 0.82 ALDH1A1 (0.58) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL1659997 0.81 MAPT (0.46) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL9748614 0.81 TAAR1 (0.41) MEN1KMT2AACHETAAR1IDO1
SCHEMBL27794492 0.80 ALDH1A1 (0.45) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL5280179 0.80 CHRM2 (0.51) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL9163007 0.80 CYP1A2 (0.45) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL14775953 0.80 ALDH1A1 (0.45) MEN1KMT2AUSP2ALDH1A1CYP1A2
SCHEMBL29941639 0.78 ACHE (0.55) MEN1KMT2AACHETAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585569-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2013-05-01 EP claimed
US-8362303-B2 Process for producing aromatic aldehyde compound UFC CORPORATION (TW) 2013-01-29 US claimed
US-20120264981-A1 Process for Producing Aromatic Aldehyde Compound UFC CORPORATION (TW) 2012-10-18 US claimed
US-20120264975-A1 Phase Transfer Catalyst for Producing Aromatic Aldehyde Compound UFC CORPORATION (TW) 2012-10-18 US claimed
WO-2011163337-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO claimed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US claimed
EP-2065360-A2 3-methylbenzyl isobutyrate Symrise GmbH & Co. KG (DE) 2009-06-03 EP claimed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US claimed
EP-1747186-A1 3-METHYLBENZYL-ISOBUTYRAT Symrise GmbH & Co. KG (DE) 2007-01-31 EP claimed
WO-2005110967-A1 3-METHYLBENZYL-ISOBUTYRAT SYMRISE GMBH & CO. KG (DE) 2005-11-24 WO claimed
EP-4192614-B1 PROCESS FOR THE PREPARATION OF MICROCAPSULES SYMRISE AG (DE) 2026-05-06 EP disclosed
US-12516147-B2 Aldimines and uses thereof BOSTIK SA (FR) 2026-01-06 US disclosed
US-12421345-B2 Polyimines and uses thereof BOSTIK SA (FR) 2025-09-23 US disclosed
US-20250144589-A1 Method for Producing Microcapsules SYMRISE AG (DE) 2025-05-08 US disclosed
CN-116322326-B Polyurea/polyurethane microcapsules 西姆莱斯股份公司 2025-05-02 CN disclosed
WO-2005110967-A1 3-METHYLBENZYL-ISOBUTYRAT SYMRISE GMBH & CO. KG (DE) 2005-11-24 WO disclosed
WO-2003089394-A2 METHOD FOR THE PRODUCTION OF PHENYL PROPYL ALCOHOLS SYMRISE GMBH & CO. KG (DE) 2003-10-30 WO disclosed
EP-0217159-B1 ALDEHYDES, ACETALS, ALCOHOLS AND ETHERS WITH 3-METHYL OR 3,5-DIMETHYLBENZYL GROUPS, THEIR PREPARATION AND THEIR USE AS FRAGRANCE COMPOUNDS Consortium für elektrochemische Industrie GmbH (DE) 1992-01-02 EP disclosed
US-4710316-A Aldehydes, acetals, alcohols and ethers having 3-methyl- or 3,5-dimethyl-benzyl groups, their manufacture and perfume materials containing same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-12-01 US disclosed
EP-0217159-A2 Aldehydes, acetals, alcohols and ethers with 3-methyl or 3,5-dimethylbenzyl groups, their preparation and their use as fragrance compounds Consortium für elektrochemische Industrie GmbH (DE) 1987-04-08 EP 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 (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-20110308555-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MEN1 3884/4885KMT2A 4669/4885USP2 1146/4885
US-20120264975-A1 Phase Transfer Catalyst for Producing Aromatic Aldehyde Compound C9, TERT, ALKBH3 MEN1 2243/4885KMT2A 416/4885USP2 3751/4885
US-20120264981-A1 Process for Producing Aromatic Aldehyde Compound ALDH7A1, ALDH1A1, PAH MEN1 4599/4885KMT2A 322/4885USP2 2766/4885

“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.