SCHEMBL2331835

SCHEMBL2331835

CC(Cl)Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
CTNNB1 P35222 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRB2 P07550 4/20 0.44
ACP3 P15309 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TACR1 P25103 1/20 0.42
SLC6A4 P31645 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
SCHEMBL16933753 0.83 CYP1A2 (0.52) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL331127 0.83 GABRA1 (0.54) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL7528890 0.83 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL10456006 0.82 GABRA1 (0.52) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL10456008 0.82 GABRA1 (0.52) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL14667818 0.80 SIGMAR1 (0.43) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL673323 0.80 GABRA1 (0.41) CYP2D6SIGMAR1SLC6A4
SCHEMBL6307855 0.80 CTNNB1 (0.53) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL8377380 0.80 TDP1 (0.53) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1
SCHEMBL11674881 0.80 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6SIGMAR1CTNNB1

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 5 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
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 US 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 CYP1A2 165/4885CYP2C19 316/4885CYP2D6 539/4885

“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.