SCHEMBL820828

SCHEMBL820828

N#Cc1cccc2c1Cc1c(C#N)cccc1-2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.41
TRPA1 O75762 2/20 0.41
NISCH Q9Y2I1 1/20 0.40
NOTUM Q6P988 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 1/20 0.37
MCL1 Q07820 1/20 0.35
HTT P42858 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
SCHEMBL30940563 0.85 TRPA1 (0.50) ESR2TYRTSHRTRPA1NOTUM
SCHEMBL1033059 0.85 TRPA1 (0.50) ESR2TYRTSHRTRPA1NOTUM
SCHEMBL17954603 0.79 DRD2 (0.46) ESR2TYRTRPA1NISCHNOTUM
SCHEMBL11679308 0.78 PNMT (0.40) TYRTRPA1NISCHNOTUMPDK2
SCHEMBL17954611 0.78 TRPA1 (0.38) TYRTRPA1NISCHNOTUMPDK2
Pyridine SCHEMBL11066795 0.75 TRPA1 (0.46) TRPA1NISCHNOTUMKDM4EALDH1A1
SCHEMBL4923692 0.75 TRPA1 (0.53) TSHRTRPA1NOTUMCA1CA2
SCHEMBL19254753 0.75 TRPA1 (0.45) ESR2TYRTSHRTRPA1NOTUM
SCHEMBL28405842 0.74 PNMT (0.49) ESR2TSHRTRPA1CA1CA2
SCHEMBL4825821 0.74 NOTUM (0.49) ESR2TSHRTRPA1NOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
US-20170002112-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
US-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 US disclosed
US-20140275403-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US disclosed
CN-102361888-B Polymers functionalized with polycyano compounds BRIDGESTONE CORP 2013-11-20 CN disclosed
CN-102361888-A Polymers functionalized with polycyano compounds BRIDGESTONE CORP 2012-02-22 CN disclosed
US-20110288200-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2011-11-24 US disclosed
EP-2382241-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 WO 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 (1 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-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP ESR2 546/4885TYR 878/4885TSHR 4669/4885

“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.