SCHEMBL2965433

SCHEMBL2965433

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
TAAR1 Q96RJ0 3/20 0.43
ACHE P22303 1/20 0.43
IDO1 P14902 2/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOB P27338 3/20 0.39
LNPEP Q9UIQ6 1/20 0.38
CTBP2 P56545 1/20 0.38
CETP P11597 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL28925134 0.88 MEN1 (0.40) TRPA1TAAR1IDO1TSHRALDH1A1
SCHEMBL19001653 0.85 ACHE (0.46) TRPA1TAAR1ACHEIDO1ALDH1A1
SCHEMBL9749251 0.83 TRPA1 (0.41) TRPA1ALDH1A1
SCHEMBL9748488 0.81 TSHR (0.40) TRPA1TAAR1ACHEIDO1TSHR
SCHEMBL114928 0.79 TRPA1 (0.71) TRPA1TAAR1TSHRALDH1A1CYP2D6
SCHEMBL9748682 0.79 TAAR1 (0.43) TAAR1ACHEIDO1TSHRALDH1A1
SCHEMBL9749502 0.77 MAOB (0.45) TAAR1ACHEIDO1ALDH1A1CYP2D6
SCHEMBL2259568 0.77 ACHE (0.50) TAAR1ACHEIDO1MAOBCTBP2
SCHEMBL809073 0.77 ACHE (0.50) TAAR1ACHEIDO1MAOBCTBP2
SCHEMBL17461297 0.77 ACHE (0.50) TAAR1ACHEIDO1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US disclosed
CN-117986090-A Novel fragrances with rose scent 西姆莱斯股份公司 2024-05-07 CN disclosed
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-05-02 US disclosed
EP-4330361-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-03-06 EP disclosed
CN-110446778-B 2,3, 6-trimethylcyclohexanol as fragrance and/or flavoring agent 西姆莱斯有限公司 2024-03-01 CN disclosed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP disclosed
CN-112469685-B Novel fragrances with rose scent 西姆莱斯股份公司 2024-01-02 CN disclosed
CN-117203313-A 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume 西姆莱斯股份公司 2023-12-08 CN disclosed
EP-2065360-A2 3-methylbenzyl isobutyrate Symrise GmbH & Co. KG (DE) 2009-06-03 EP disclosed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 US disclosed
EP-1747186-B1 Fragrant composition comprising 3-methylbenzyl-isobutyrat SYMRISE GMBH & CO KG (DE) 2009-03-11 EP disclosed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US disclosed
EP-1747186-A1 3-METHYLBENZYL-ISOBUTYRAT Symrise GmbH & Co. KG (DE) 2007-01-31 EP disclosed
WO-2005110967-A1 3-METHYLBENZYL-ISOBUTYRAT SYMRISE GMBH & CO. KG (DE) 2005-11-24 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-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A TRPA1 36/4885TAAR1 1204/4885ACHE 2520/4885
US-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 TRPA1 2177/4885TAAR1 3592/4885ACHE 215/4885
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE OR10J3, OR51E2, SRD5A2 TRPA1 106/4885TAAR1 103/4885ACHE 1171/4885

“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.