SCHEMBL290835

SCHEMBL290835

CCC(O)OC1(C(C)C)CCCC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6355702 1.00 CYP1A2 (0.35) CYP1A2
SCHEMBL16418243 0.85 CYP1A2 (0.33) CYP1A2
SCHEMBL121846 0.81 CYP1A2 (0.33) CYP1A2
SCHEMBL6563545 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL5390033 0.78 TSHR (0.36)
SCHEMBL583697 0.77 CYP1A2 (0.31) CYP1A2
SCHEMBL2357386 0.74 CYP1A2 (0.33) CYP1A2
SCHEMBL3409194 0.74 CYP1A2 (0.34) CYP1A2
SCHEMBL10964692 0.74 CYP1A2 (0.34) CYP1A2
SCHEMBL117857 0.73 CYP1A2 (0.36) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494104-B1 WARMING SENSATION COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2023-11-15 EP claimed
EP-3658109-B1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH & CIE (CH) 2022-12-07 EP claimed
US-11059771-B2 Warming sensation compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-13 US claimed
US-11034644-B2 2021-06-15 US claimed
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH SA (CH) 2020-10-01 US claimed
US-20190169111-A1 WARMING SENSATION COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-06 US claimed
EP-2810564-B1 Sensation masking composition TAKASAGO INT CORP (USA) (US) 2017-06-14 EP claimed
US-20150327583-A1 SENSATION MASKING COMPOSITION TAKASAGO INTERNATIONAL CORP. (USA) (US) 2015-11-19 US claimed
EP-1912516-B1 SENSATION MASKING COMPOSITION TAKASAGO INTERNAT CORP USA (US) 2014-06-25 EP claimed
US-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US claimed
EP-2167024-A2 COOLING COMPOUNDS Givaudan SA (CH) 2010-03-31 EP claimed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US claimed
US-20090035364-A1 PARA-SUBSTITUTED 2-ALKOXYPHENOL COMPOUNDS GIVAUDAN SA (CH) 2009-02-05 US claimed
US-20080311232-A1 Cooling Compounds GIVAUDAN, SA (CH) 2008-12-18 US claimed
WO-2008151460-A2 COOLING COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO claimed
US-20070225378-A1 Menthol Dearivative and Cooling Agent Composition Comprising the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-09-27 US claimed
US-20070092623-A1 Food products containing a fruit component TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-04-26 US claimed
US-20070036733-A1 Sensation masking composition TAKASAGO INTERNATIONAL CORP. (USA) (US) 2007-02-15 US claimed
US-20060269500-A1 Topical warming composition TAKASAGO INTERNATIONAL CORP. (USA) (US) 2006-11-30 US claimed
EP-1122233-B1 A (1'R, 2'S, 5'R)-3-l-menthoxypropan-1-ol cooling sensate TAKASAGO PERFUMERY CO LTD (JP) 2004-01-02 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 (11 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-20070036733-A1 Sensation masking composition TRPA1, TRPV1, TRPM5 CYP1A2 1951/4885
US-20060269500-A1 Topical warming composition CUTA, NACA, LSM14A CYP1A2 1601/4885
US-11059771-B2 Warming sensation compounds TRPA1, TRPV1, TRPV4 CYP1A2 2350/4885
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS TAS2R20, TAS2R10, TAS2R40 CYP1A2 3070/4885
US-20150327583-A1 SENSATION MASKING COMPOSITION TRPA1, TRPV1, TRPM5 CYP1A2 1951/4885
US-20080311232-A1 Cooling Compounds MAL2, NCOR2, NCOA2 CYP1A2 192/4885
US-11034644-B2 TRPA1, TRPV1, TRPV5 CYP1A2 1960/4885
US-20070225378-A1 Menthol Dearivative and Cooling Agent Composition Comprising the Same TRPM7, TRPA1, TRPM2 CYP1A2 515/4885
US-20190169111-A1 WARMING SENSATION COMPOUNDS TRPA1, TRPV1, TRPV4 CYP1A2 2350/4885
US-20090275669-A1 Flavor and fragrance composition TAS2R40, TAS2R1, TAS2R50 CYP1A2 136/4885
US-20090035364-A1 PARA-SUBSTITUTED 2-ALKOXYPHENOL COMPOUNDS EBP, CYP1A1, CYP2E1 CYP1A2 22/4885

“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.