SCHEMBL2332334

SCHEMBL2332334

CC(C)([BiH2])c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CYP2A6 P11509 4/20 0.44
HSD17B10 Q99714 5/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 6/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39
HPRT1 P00492 1/20 0.39
ACP3 P15309 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL11023073 0.82 CYP2A6 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29972825 0.81 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4818310 0.81 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL252402 0.81 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL28297056 0.81 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Ammonia Solution, Strong SCHEMBL23144523 0.80 CYP2A6 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779049 0.79 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779052 0.79 KIF11 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL9252334 0.79 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL16933751 0.77 CYP2A6 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133357-B1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO LTD (JP) 2016-11-16 EP disclosed
US-8076430-B2 Living radical polymerization promoter OTSUKA CHEMICAL CO., LTD. (JP) 2011-12-13 US disclosed
EP-1829883-B1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-08-17 EP disclosed
US-7847043-B2 Organic bismuth compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2010-12-07 US disclosed
US-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO., LTD. (JP) 2010-01-28 US disclosed
EP-2133357-A1 LIVING RADICAL POLYMERIZATION PROMOTER Otsuka Chemical Holdings Co., Ltd. (JP) 2009-12-16 EP disclosed
US-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer OTSUKA CHEMICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1829883-A1 ORGANIC BISMUTH COMPOUND, METHOD FOR PRODUCING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER USING SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2007-09-05 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 (2 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-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer DOHH, COASY, ODC1 ALDH1A1 874/4885CYP2A6 468/4885HSD17B10 722/4885
US-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER DNMT1, CYP1B1, DNMT3B ALDH1A1 321/4885CYP2A6 132/4885HSD17B10 346/4885

“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.