SCHEMBL141087

SCHEMBL141087

C[CH]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.48
TYR P14679 1/20 0.48
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
AMY1A P0DUB6 1/20 0.44
PKM P14618 1/20 0.44
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL1825727 0.80 CYP1A2 (0.64) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL348622 0.80 TSHR (0.52) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL1825729 0.80 CYP1A2 (0.64) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL868821 0.79 CYP1A2 (0.57) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL868822 0.79 CYP1A2 (0.57) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL424728 0.78 TSHR (0.73) CYP1A2TSHRLMNATYRKIF11
SCHEMBL14205332 0.78 GRIN2D (0.50) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL29145894 0.78 CYP1A2 (0.61) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL43060 0.76 EPHX2 (0.56) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL5057064 0.76 CYP1A2 (0.48) CYP1A2TSHRLMNATYRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017199103-A1 BENZAMIDE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-11-23 WO claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP claimed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-4472412-A Control of fungi using phenylpropylammonium salts BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 US claimed
CN-117883308-A Cosmetic or dermatological composition comprising a merocyanine and an oily phase comprising at least one alkyl or alkylene carbonate 莱雅公司 2024-04-16 CN disclosed
CN-117285668-A Ethylene-propylene copolymer catalyst composition and preparation and application thereof 中国石油天然气股份有限公司 2023-12-26 CN disclosed
CN-105380810-B Stabilization of cosmetic compositions 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-105985368-B Metallocene complex containing heteroatom pi-ligand, its preparation method, its catalyst system and application of catalyst system 中国石油天然气股份有限公司 2020-03-10 CN disclosed
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2020-02-27 US disclosed
US-4310679-A Equilibrating organosiloxanes with fluorine- and sulphonyl-containing catalysts BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 US disclosed
US-4278554-A METHYLENE-BRIDGED O-ALKYLPHENOLIC COMPOUNDS DIALKYLPHENOL TERMINATED ETHYL CORPORATION (US) 1981-07-14 US disclosed
US-4222884-A PHENOLIC COMPOUND ETHYL CORPORATION (US) 1980-09-16 US disclosed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 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 (3 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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC CYP1A2 178/4885TSHR 1108/4885LMNA 1955/4885
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF ORC3, ORMDL3, OR51E2 CYP1A2 1052/4885TSHR 1986/4885LMNA 3560/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 CYP1A2 148/4885TSHR 2633/4885LMNA 3481/4885

“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.