SCHEMBL819145

SCHEMBL819145

Cc1c(C#N)cccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
NISCH Q9Y2I1 1/20 0.47
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
AR P10275 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
CYP2A6 P11509 1/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.37
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL16952466 0.88 TSHR (0.48) TSHRNISCHCA1CA2AR
SCHEMBL14547575 0.88 TSHR (0.48) TSHRNISCHCA1CA2AR
SCHEMBL102574 0.87 TSHR (0.65) TSHRNISCHCA1CA2AR
SCHEMBL29941499 0.87 TSHR (0.65) TSHRNISCHCA1CA2AR
Hydrochloric Acid SCHEMBL20840273 0.85 TSHR (0.62) TSHRNISCHCA1CA2AR
SCHEMBL17796260 0.83 TSHR (0.48) TSHRNISCHCA1CA2AR
SCHEMBL102325 0.83 TSHR (0.48) TSHRNISCHARALDH1A1KDM4E
SCHEMBL15252030 0.83 TSHR (0.48) TSHRNISCHCA1CA2AR
SCHEMBL2137032 0.83 TRPA1 (0.50) TSHRNISCHCA1CA2AR
SCHEMBL1232348 0.83 TSHR (0.48) TSHRNISCHCA1CA2AR

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 381 patents — showing the first 20. 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-12048238-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-23 US disclosed
US-20240244870-A1 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244952-A1 ORGANIC LIGHT-EMITTING DEVICE AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-5436371-A Process for preparing p-nitroaromatic amides and products thereof MONSANTO COMPANY (US) 1995-07-25 US disclosed
US-5428065-A Treating central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1995-06-27 US disclosed
EP-0645370-A1 Substituted m-xylylene diamines for the treatment of diseases of the central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-03-29 EP disclosed
WO-1995004029-A1 PROCESS FOR PREPARING P-NITROAROMATIC AMIDES AND PRODUCTS THEREOF MONSANTO COMPANY (US) 1995-02-09 WO disclosed
US-5380946-A From nitrobenzene and a nitrile MONSANTO COMPANY (US) 1995-01-10 US disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
EP-0068695-A1 Blends of poly (parabanic acids) with other polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-01-05 EP disclosed
US-4324836-A Polymers characterized by 1,3-imidazolidine-1,3-diyl rings plasticized with aromatic nitriles EXXON RESEARCH & ENGINEERING CO. (US) 1982-04-13 US disclosed
EP-0041852-A1 Polymers having 1,3-imidazolidine-1,3diyl rings plasticized with aromatic nitriles EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-12-16 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 (6 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-20240244952-A1 ORGANIC LIGHT-EMITTING DEVICE AND ORGANOMETALLIC COMPOUND LEF1, OCIAD1, OXA1L TSHR 3961/4885NISCH 1131/4885CA1 1658/4885
US-12048238-B2 Organometallic compound and organic light-emitting device including the same TRPC1, PPOX, LAGE3 TSHR 4294/4885NISCH 1344/4885CA1 4239/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG TSHR 2736/4885NISCH 32/4885CA1 4821/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM TSHR 1035/4885NISCH 1854/4885CA1 2001/4885
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OCIAD2, OCIAD1 TSHR 596/4885NISCH 2928/4885CA1 3040/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 TSHR 1707/4885NISCH 2569/4885CA1 1733/4885

“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.