SCHEMBL534456

SCHEMBL534456

COCCCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 4/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HPGD P15428 1/20 0.36
PYCR1 P32322 1/20 0.36
DAO P14920 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL31245544 0.88 TAAR1 (0.54) TAAR1IDO1ALDH1A1TSHRHTT
SCHEMBL2541735 0.88 TAAR1 (0.54) TAAR1IDO1ALDH1A1TSHRHTT
SCHEMBL15110409 0.84 TAAR1 (0.43) TAAR1IDO1ALDH1A1TSHRHTT
SCHEMBL15184061 0.81 TSHR (0.39) TAAR1IDO1ALDH1A1TSHRDAO
SCHEMBL2810417 0.80 TSHR (0.36) TAAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL3208584 0.79 TAAR1 (0.46) TAAR1IDO1ALDH1A1GAATSHR
SCHEMBL500370 0.78 TAAR1 (0.48) TAAR1IDO1ALDH1A1TSHRHTT
SCHEMBL5365120 0.78 TAAR1 (0.44) TAAR1IDO1ALDH1A1TSHRHTT
SCHEMBL8819214 0.78 TAAR1 (0.52) TAAR1ALDH1A1TSHRHPGDDAO
SCHEMBL4450889 0.77 TAAR1 (0.56) TAAR1IDO1TSHRPYCR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890231-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-02-13 US disclosed
US-20160264699-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYETHYLENE CORPORATION (JP) 2016-09-15 US disclosed
US-9376459-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2016-06-28 US disclosed
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2011-10-20 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER AS3MT, ATR, ALK TAAR1 25/4885IDO1 1474/4885ALDH1A1 641/4885
US-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 2165/4885IDO1 3738/4885ALDH1A1 1379/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 1781/4885IDO1 3324/4885ALDH1A1 900/4885

“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.