SCHEMBL1678684

SCHEMBL1678684

CCCC(O)CCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.58
TRPV1 Q8NER1 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
CSNK1E P49674 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL1678631 0.98 TRPA1 (0.55) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL6671960 0.93 TRPA1 (0.58) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL3652085 0.93 SIGMAR1 (0.49) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL14402447 0.93 SIGMAR1 (0.49) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL19682101 0.91 TRPA1 (0.67) TRPA1TRPV1SIGMAR1MAPTRXFP1
SCHEMBL26914633 0.89 CSNK1E (0.55) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL5806427 0.87 TRPA1 (0.59) TRPA1TRPV1SIGMAR1CSNK1EMAPT
SCHEMBL1678754 0.87 TRPA1 (0.59) TRPA1TRPV1SIGMAR1CSNK1EMAPT
SCHEMBL9279770 0.86 CSNK1E (0.55) TRPA1TRPV1SIGMAR1CSNK1EKCNH2
SCHEMBL5806424 0.86 CSNK1E (0.55) TRPA1TRPV1SIGMAR1CSNK1EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US 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 2141/4885TRPV1 3360/4885SIGMAR1 4028/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TRPA1 1743/4885TRPV1 2762/4885SIGMAR1 706/4885

“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.