SCHEMBL49551

SCHEMBL49551

Cc1cccc([N]c2cccc(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
CYP3A4 P08684 2/20 0.41
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 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 3/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5932957 0.84 TDP1 (0.39) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL29364976 0.83 SMN1; SMN2 (0.47) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL11696808 0.83 SMN1; SMN2 (0.47) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL10106300 0.83 SMN1; SMN2 (0.47) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL4394449 0.81 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL14669788 0.79 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL30022899 0.79 CYP3A4 (0.43) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL3778547 0.79 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL1537728 0.79 CYP3A4 (0.43) TRPA1ATMCYP2A6CYP1A2CYP3A4
SCHEMBL1416730 0.77 CYP3A4 (0.52) TRPA1ATMCYP2A6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
EP-2738220-B1 COMPOSITION FOR POLYURETHANE FOAM, PREPARATION FOR POLYURETHANE FOAM, POLYMER POLYOL PREPARATION FOR POLYURETHANE FOAM, METHODS FOR PRODUCING THESE, AND POLYURETHANE FOAM MITSUI CHEMICALS INC (JP) 2018-09-19 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20140155506-A1 COMPOSITION FOR POLYURETHANE FOAM, PREPARATION FOR POLYURETHANE FOAM, POLYMER POLYOL PREPARATION FOR POLYURETHANE FOAM, PRODUCTION PROCESSES THEREFOR, AND POLYURETHANE FOAM MITSUI CHEMICALS, INC. (JP) 2014-06-05 US disclosed
EP-2738220-A1 COMPOSITION FOR POLYURETHANE FOAM, PREPARATION FOR POLYURETHANE FOAM, POLYMER POLYOL PREPARATION FOR POLYURETHANE FOAM, METHODS FOR PRODUCING THESE, AND POLYURETHANE FOAM Mitsui Chemicals, Inc. (JP) 2014-06-04 EP disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2478981-A1 SILVER-(CONJUGATED COMPOUND) COMPLEX Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8013052-B2 Curable resin, production method thereof, epoxy resin composition, and electronic device HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 US disclosed
US-20090023855-A1 NOVEL CURABLE RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND ELECTRONIC DEVICE RESONAC CORPORATION (JP) 2009-01-22 US disclosed
EP-1041100-B1 PROCESSES FOR PRODUCING POLYOXYALKYLENE POLYOL AND PRODUCING DERIVATIVE THEREOF MITSUI CHEMICALS INC (JP) 2006-01-18 EP disclosed
US-6410676-B1 USING PHOSPHAZENIUM CATALYST MITSUI CHEMICALS, INC. (JP) 2002-06-25 US disclosed
EP-1041100-A1 PROCESSES FOR PRODUCING POLYOXYALKYLENE POLYOL AND PRODUCING DERIVATIVE THEREOF Mitsui Chemicals, Inc. (JP) 2000-10-04 EP disclosed
US-6022945-A CATALYST IS COMPOSED OF A PHOSPHAZENE COMPOUND OR A PHOSPHAZENIUM SALT MITSUI CHEMICALS, INC. (JP) 2000-02-08 US disclosed
US-5952457-A CATALYST COMPOSED OF PHOSPHAZENE COMPOUND OR PHOSPHAZENIUM SALT WHICH IS DERIVED FROM THE PHOSPHAZENE COMPOUND AND AN ACTIVE HYDROGEN COMPOUND MITSUI CHEMICALS, INC. (JP) 1999-09-14 US disclosed
EP-0763555-A2 Alkylene oxide polymerisation catalysts MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-03-19 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 (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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 TRPA1 1381/4885ATM 2963/4885CYP2A6 3893/4885

“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.