SCHEMBL2090458

SCHEMBL2090458

Cc1ccccc1Cc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.53
CHRM2 P08172 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AR P10275 1/20 0.46
HSPA5 P11021 1/20 0.46
KMT2A Q03164 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
P2RX7 Q99572 1/20 0.44
TYMP P19971 1/20 0.44
CYP2A13 Q16696 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL29477327 1.00 TAAR1 (0.56) TAAR1TSHRACHECHRM2PTGS1
SCHEMBL11200954 0.97 TAAR1 (0.54) TAAR1TSHRACHECHRM2PTGS1
SCHEMBL29772212 0.97 TAAR1 (0.54) TAAR1TSHRACHECHRM2PTGS1
SCHEMBL4923086 0.89 TAAR1 (0.54) TAAR1TSHRACHECHRM2PTGS1
SCHEMBL8095627 0.88 LTA4H (0.53) TAAR1TSHRACHECHRM2PTGS1
SCHEMBL7192027 0.87 HTR2A (0.54) TAAR1TSHRKMT2AALDH1A1P2RX7
SCHEMBL6546855 0.87 TAAR1 (0.46) TAAR1TSHRACHEARP2RX7
SCHEMBL6548002 0.87 TAAR1 (0.46) TAAR1TSHRACHEPTGS1PTGS2
SCHEMBL2140999 0.87 HTR2A (0.54) TAAR1TSHRKMT2AALDH1A1P2RX7
SCHEMBL11210876 0.87 TAAR1 (0.46) TAAR1TSHRACHEPTGS1PTGS2

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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103555166-B Coating of abrasion-proof corrosion-proof and preparation method thereof TIANJIN RUTAI PRECISION CHEMICALS CO., LTD. (CN) 2016-02-10 CN claimed
CN-105297487-A Washing resistant adhesive and preparation method thereof JIAXING ROCK CHEMISTRY INDUSTRY CO LTD 2016-02-03 CN claimed
CN-105256578-A Waterborne three-proofing leather finishing agent and using method thereof UNIV GUANGZHOU 2016-01-20 CN claimed
CN-104911918-A Durable super-hydrophobic and super-oleophobic textile finishing agent and finishing method thereof UNIV GUANGZHOU 2015-09-16 CN claimed
CN-104790202-A Fluorine-free durable super-hydrophobic cotton fabric finishing agent and cotton fabric finishing method thereof UNIV GUANGZHOU 2015-07-22 CN claimed
CN-103554465-A Production process of chlorinated polyether TIANJIN RUITAI FINE CHEMICAL CO LTD 2014-02-05 CN claimed
CN-103555166-A Wear-resisting anticorrosion TBF coating and preparation method thereof TIANJIN RUITAI FINE CHEMICAL CO LTD 2014-02-05 CN claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-7816437-B2 Polymide resin composition modified with bismaleimide and cyanate CHANG CHUN PLASTICS CO., LTD. (TW) 2010-10-19 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
EP-0282083-B1 Use of a composition comprising benzyltoluene and ditolylmethane as an electrical insulating oil. NIPPON PETROCHEMICALS CO LTD (JP) 1994-07-06 EP claimed
EP-0446086-B1 Composition comprising methyl and benzyl derivatives of diphenylmethane and its use as dielectricum ATOCHEM ELF SA (FR) 1993-12-08 EP claimed
EP-0446086-A1 Composition comprising methyl and benzyl derivatives of diphenylmethane and its use as dielectricum ELF ATOCHEM S.A. (FR) 1991-09-11 EP claimed
US-4902841-A BENZYLTOLUENE AND DITOLYMETHANE NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1990-02-20 US claimed
EP-0349136-A1 Electrically insulating fluids SYBRON CHEMICALS INC (US) 1990-01-03 EP claimed
US-4873611-A DITOLYLMETHANE AS BIODEGRADABLE DIELECTRIC FLUID IN CAPACITOR SYBRON CHEMICALS, INC. (US) 1989-10-10 US claimed
US-4777301-A CONTACTING WITH NON-ZEOLITIC MOLECULAR SIEVE UNION CARBIDE CORPORATION (US) 1988-10-11 US claimed
EP-0282083-A2 Use of a composition comprising benzyltoluene and ditolylmethane as an electrical insulating oil. NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP claimed
EP-0251169-A1 Process for the condensation of carbonyl and aromatic compounds UNION CARBIDE CORPORATION (US) 1988-01-07 EP claimed
US-3976603-A Fluorinated elastomeric polymers containing the 1,3,5-triazine ring, and process for preparing same MONTEDISON S.P.A. (IT) 1976-08-24 US claimed

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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 TAAR1 3270/4885TSHR 3065/4885ACHE 356/4885

“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.