SCHEMBL1678631

SCHEMBL1678631

CCCC(O)CCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
SIGMAR1 Q99720 3/20 0.51
TRPV1 Q8NER1 1/20 0.49
CSNK1E P49674 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL1678684 0.98 TRPA1 (0.58) TRPA1SIGMAR1TRPV1CSNK1EKCNH2
SCHEMBL14402447 0.94 SIGMAR1 (0.49) TRPA1SIGMAR1TRPV1CSNK1EKCNH2
SCHEMBL3652085 0.94 SIGMAR1 (0.49) TRPA1SIGMAR1TRPV1CSNK1EKCNH2
SCHEMBL6671960 0.91 TRPA1 (0.58) TRPA1SIGMAR1TRPV1CSNK1EKCNH2
SCHEMBL19682101 0.88 TRPA1 (0.67) TRPA1SIGMAR1TRPV1LTB4RLTB4R2
SCHEMBL26914633 0.87 CSNK1E (0.55) TRPA1SIGMAR1TRPV1CSNK1EKCNH2
SCHEMBL1678559 0.87 TRPA1 (0.57) TRPA1SIGMAR1TRPV1ALOX5L3MBTL1
SCHEMBL19511634 0.87 TRPA1 (0.49) TRPA1SIGMAR1CSNK1EKCNH2ALOX5
SCHEMBL2820904 0.86 TSHR (0.49) SIGMAR1KCNH2
SCHEMBL14402642 0.86 TSHR (0.49) SIGMAR1KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP disclosed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO disclosed
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
CN-101119747-A Tissue factor production inhibitor SANKYO CO (JP) 2008-02-06 CN disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI TRPA1 2141/4885SIGMAR1 4028/4885TRPV1 3360/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TRPA1 1743/4885SIGMAR1 706/4885TRPV1 2762/4885

“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.