SCHEMBL2330187

SCHEMBL2330187

CC(Cl)Cc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
LOXL2 Q9Y4K0 2/20 0.50
CYP19A1 P11511 5/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
DAO P14920 1/20 0.40
ALOX5AP P20292 1/20 0.40
IDO1 P14902 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL2320821 0.83 CYP2A6 (0.58) CYP2A6LOXL2CYP19A1ALDH1A1MAOB
SCHEMBL45200 0.82 SLC6A2 (0.48) CYP2A6MAOASLC6A2SLC6A4
SCHEMBL7981021 0.79 LOXL2 (0.59) CYP2A6LOXL2MAOASLC6A2SLC6A4
SCHEMBL21316515 0.79 CYP2A6 (0.54) CYP2A6LOXL2CYP19A1ALDH1A1CYP11B1
SCHEMBL11566830 0.79 CYP19A1 (0.48) CYP2A6LOXL2CYP19A1ALDH1A1CYP11B1
SCHEMBL3945082 0.79 CYP2A6 (0.54) CYP2A6LOXL2CYP19A1ALDH1A1CYP11B1
SCHEMBL19354446 0.79 CYP2A6 (0.54) CYP2A6LOXL2CYP19A1ALDH1A1MAOB
SCHEMBL18930594 0.79 LOXL2 (0.59) CYP2A6LOXL2MAOASLC6A2SLC6A4
SCHEMBL14051455 0.79 LOXL2 (0.59) CYP2A6LOXL2MAOASLC6A2SLC6A4
SCHEMBL11198753 0.79 CYP2A6 (0.54) CYP2A6LOXL2CYP19A1ALDH1A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20070265404-A1 Organic Bismuth Compound, Method for Producing Same, Living Radical Polymerization Initiator, Method for Producing Polymer Using Same, and Polymer DOHH, COASY, ODC1 CYP2A6 468/4885LOXL2 766/4885CYP19A1 497/4885

“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.