SCHEMBL616751

SCHEMBL616751

CC#CC(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.50
▸ TAAR1 Q96RJ0 4/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ SLC18A2 Q05940 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALPI P09923 1/20 0.39

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
SCHEMBL30278666 0.79 TRPA1 (0.42) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL13233212 0.78 SIGMAR1 (0.47) TRPA1SIGMAR1CYP1A2EPHX1ALPI
SCHEMBL27081824 0.76 CACNA2D1 (0.49) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10621350 0.76 CA1 (0.53) —
SCHEMBL10621344 0.76 CA1 (0.53) —
SCHEMBL131351 0.75 SLC6A2 (0.54) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL28422388 0.75 TAAR1 (0.43) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9794416 0.75 CPA1 (0.40) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL108646 0.74 TRPA1 (0.58) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5561126 0.74 CYP1A2 (0.50) TRPA1CYP1A2EPHX1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943722-B1 PROTECTIVE COATING FOR LED LAMP CREE INC (US) 2019-08-28 — — EP disclosed
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 — — US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 — — EP disclosed
US-9570661-B2 Protective coating for LED lamp CREE, INC. (US) 2017-02-14 — — US disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 — — US disclosed
EP-2943722-A1 PROTECTIVE COATING FOR LED LAMP Cree, Inc. (US) 2015-11-18 — — EP disclosed
US-8993698-B2 4- and 5 substituted 1,2,3-triazole moieties with at least one remote polymerizable moiety and polymers thereof ISP INVESTMENTS INC. (US) 2015-03-31 — — US disclosed
WO-2014110211-A1 PROTECTIVE COATING FOR LED LAMP CREE, INC. (US) 2014-07-17 — — WO disclosed
US-20140191648-A1 PROTECTIVE COATING FOR LED LAMP CREE, INC. (US) 2014-07-10 — — US disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 — — US disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 — — EP disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 — — US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 — — EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 — — WO disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 — — WO disclosed
US-4983627-A Treating atherosclerosis, thrombosis and vasospasms; anticholesterol,-secretory,-ulcer and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1991-01-08 — — US 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 (4 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TRPA1 1898/4885TAAR1 18/4885SLC6A2 3534/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C TRPA1 1898/4885TAAR1 18/4885SLC6A2 3534/4885
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 TRPA1 3643/4885TAAR1 711/4885SLC6A2 4129/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TRPA1 1898/4885TAAR1 18/4885SLC6A2 3534/4885

“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.

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