SCHEMBL4256593

SCHEMBL4256593

Cc1cccc(Pc2cccc(C)c2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CD44 P16070 1/20 0.35
MAPT P10636 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
HTR2C P28335 2/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL31507262 1.00 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL5988705 0.93 TSHR (0.41) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9852854 0.84 TRPA1 (0.38) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL5988702 0.82 TRPA1 (0.37) TRPA1ATMCYP2A6CYP1A2TSHR
Water SCHEMBL31324050 0.82 TRPA1 (0.37) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL15658154 0.82 GABRA1 (0.38) TRPA1ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL20663045 0.81 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL28960700 0.79 TRPA1 (0.48) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL15658157 0.79 TSHR (0.38) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL146928 0.77 TSHR (0.53) CYP2A6CYP1A2TSHRACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848399-B1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO (JP) 2024-07-10 EP disclosed
US-11795188-B2 Transition metal compound and method for producing olefin polymer IDEMITSU KOSAN CO., LTD. (JP) 2023-10-24 US disclosed
US-20230235202-A1 PLASTICIZER FOR RESINS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-27 US disclosed
EP-3848399-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER Idemitsu Kosan Co., Ltd. (JP) 2021-07-14 EP disclosed
US-20210198300-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2021-07-01 US disclosed
EP-2915858-B1 ADHESIVE COMPOSITION AND ADHESIVE TAPE USING SAME IDEMITSU KOSAN CO (JP) 2020-12-02 EP disclosed
EP-3006535-B1 BASE POLYMER FOR HOT-MELT ADHESIVE, AND HOT-MELT ADHESIVE IDEMITSU KOSAN CO (JP) 2020-02-05 EP disclosed
EP-2915825-B1 POLYOLEFIN, ADHESIVE COMPOSITION CONTAINING SAME, AND ADHESIVE TAPE USING SAID ADHESIVE COMPOSITION IDEMITSU KOSAN CO (JP) 2019-06-26 EP disclosed
US-10066131-B2 Hot-melt adhesive for woodworking IDEMITSU KOSAN CO., LTD. (JP) 2018-09-04 US disclosed
US-20170355888-A1 HOT-MELT ADHESIVE FOR WOODWORKING IDEMITSU KOSAN CO., LTD. (JP) 2017-12-14 US disclosed
US-8791300-B2 Process for preparing a substituted dimethyl-(3-arylbutyl)amine compound by homogeneous catalysis GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
EP-2702127-A1 PROCESS FOR PRODUCING MONOBRANCHED FATTY ACIDS OR ALKYL ESTERS Croda International PLC (GB) 2014-03-05 EP disclosed
US-20140031571-A1 PROCESS FOR PRODUCING MONOBRANCHED FATTY ACIDS OR ALKYL ESTERS CRODA INTERNATIONAL PLC (GB) 2014-01-30 US disclosed
WO-2012146909-A1 PROCESS FOR PRODUCING MONOBRANCHED FATTY ACIDS OR ALKYL ESTERS CRODA INTERNATIONAL PLC (GB) 2012-11-01 WO disclosed
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis GRUENENTHAL GMBH (DE) 2009-02-12 US disclosed
EP-0739333-B1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS DU PONT (US) 1998-10-14 EP disclosed
EP-0739333-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-30 EP disclosed
US-5510507-A COORDINATION CATALYSTS; EFFICIENT ENANTIOSELECTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US disclosed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 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 (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-20210198300-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER H1-0, C9, C5 TRPA1 1083/4885ATM 4656/4885CYP2A6 937/4885
US-20090043132-A1 Process for Preparing a Substituted Dimethyl-(3-arylbutyl)amine Compound by Homogeneous Catalysis HRH3, CAT, CMA1 TRPA1 2418/4885ATM 2870/4885CYP2A6 2899/4885
US-11795188-B2 Transition metal compound and method for producing olefin polymer H1-0, C9, C5 TRPA1 1083/4885ATM 4656/4885CYP2A6 937/4885

“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.