SCHEMBL677817

SCHEMBL677817

CC(C)(Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
KIF11 P52732 6/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ORAI1 Q96D31 1/20 0.48
ORAI2 Q96SN7 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
TRPV6 Q9H1D0 1/20 0.48
MGLL Q99685 1/20 0.48
GSK3B P49841 2/20 0.44
PTPN1 P18031 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
EPHX2 P34913 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
SCHEMBL3402778 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL1415743 0.86 TSHR (0.44) ALDH1A1TSHRKIF11TAAR1
SCHEMBL63468 0.86 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL70053 0.84 TRPV1 (0.55) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL14703793 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL20149638 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL5694455 0.84 TSHR (0.52) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL963755 0.81 PDE2A (0.58) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL13205250 0.80 ALDH1A1 (0.53) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL11239014 0.80 ALDH1A1 (0.53) ALDH1A1TSHRKIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619211-B1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2012-10-17 EP disclosed
US-8084464-B2 Tetrahydroisoquinoline derivatives CONCERT PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
EP-1595894-B1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2011-10-12 EP disclosed
US-8008414-B2 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
EP-1767539-B1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-07-27 EP disclosed
CN-1820030-B Process for the production of living radical polymers and polymers OTSUKA CHEMICAL CO LTD 2010-10-06 CN disclosed
US-7662899-B2 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2010-02-16 US disclosed
US-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
US-7615601-B2 Process for production of living radical polymers and polymers OTSUKA CHEMICAL CO., LTD. (JP) 2009-11-10 US disclosed
US-20060167199-A1 Process for produciton of living radical polymers and polymers OTSUKA CHEMICAL CO., LTD. (JP) 2006-07-27 US disclosed
US-20060135711-A1 Process for the production of living radical polymers and polymers OTSUKA CHEMICAL CO., LTD. (JP) 2006-06-22 US disclosed
CN-1780860-A Method for producing living radical polymer and polymer OTSUKA CHEMICAL CO LTD (JP) 2006-05-31 CN disclosed
EP-1619211-A1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-01-25 EP disclosed
EP-1595894-A1 PROCESS FOR THE PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-11-16 EP disclosed
US-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2005-11-03 US disclosed
CN-1675253-A Method for producing living radical polymer and polymer OTSUKA CHEMICAL CO LTD (JP) 2005-09-28 CN disclosed
CN-1649838-A Organic tellurium compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA KAGAKU KK (JP) 2005-08-03 CN disclosed
EP-1541550-A1 ORGANIC TELLURIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH THE SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2005-06-15 EP disclosed
EP-1541592-A1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-06-15 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 (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-20050245714-A1 Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer ODC1, TERB1, TTI1 ALDH1A1 1201/4885TSHR 1738/4885KIF11 1894/4885
US-20060135711-A1 Process for the production of living radical polymers and polymers CBR3, CBR1, CCNT1 ALDH1A1 483/4885TSHR 3860/4885KIF11 3548/4885
US-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer AOC2, ODC1, MCM7 ALDH1A1 1542/4885TSHR 2137/4885KIF11 1167/4885

“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.