SCHEMBL3356085

SCHEMBL3356085

CCc1cc(O)c2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
TRPM4 Q8TD43 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 1/20 0.50
TRPA1 O75762 1/20 0.47
HTR6 P50406 1/20 0.46
BCHE P06276 1/20 0.45
PTPN1 P18031 1/20 0.41
GAA P10253 1/20 0.41
AKR1B1 P15121 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20799527 0.85 NQO2 (0.52) NQO2TRPM4CYP1A2CYP2A6BCHE
SCHEMBL20362410 0.84 RXRA (0.42) NQO2TRPM4CYP1A2CYP2A6TRPA1
SCHEMBL2806194 0.82 NQO2 (0.57) NQO2TRPM4CYP1A2BCHEPTPN1
SCHEMBL29977590 0.82 NQO2 (0.57) NQO2TRPM4CYP1A2BCHEPTPN1
SCHEMBL15345404 0.80 NQO2 (0.55) NQO2TRPM4CYP1A2BCHEPTPN1
SCHEMBL10746784 0.80 NQO2 (0.55) NQO2TRPM4CYP1A2BCHEPTPN1
SCHEMBL14051803 0.79 PTGS2 (0.51) BCHELMNAHTTTP53ESR1
SCHEMBL3359160 0.78 CYP1A2 (0.53) CYP1A2CYP2A6TRPA1ESR1HSD17B1
SCHEMBL17919574 0.78 CYP1A2 (0.48) TRPM4CYP1A2CYP2A6HTR6GAA
SCHEMBL16539783 0.78 AKR1B1 (0.49) NQO2TRPM4CYP1A2BCHEPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
CN-101412775-B Catalyst precursor for polymerization of propylene or combined polymerization, and preparation thereof BEIJING JINDINGKE CHEMICAL TECHNOLOGY CO LTD 2010-12-22 CN disclosed
CN-101139407-B Catalyst precursor for ethylene polymerization or copolymerization and preparation method thereof BEIJING JINDINGKE CHEMICAL TECHNOLOGY CO LTD 2010-10-06 CN disclosed
US-20100209810-A1 POLYMER ELECTROLYTE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101802932-A Polymer electrolyte composition SUMITOMO CHEMICAL CO 2010-08-11 CN disclosed
EP-2192597-A1 POLYMER ELECTROLYTE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
CN-101412775-A Catalyst activity component for polymerization of propylene or combined polymerization, catalyst precursor containing the same and preparation thereof BEIJING JINDINGKE CHEMICAL TEC (CN) 2009-04-22 CN disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
CN-101139407-A Catalyst active component for ethylene polymerization or copolymerization and catalyst precursor comprising the active component and preparation method thereof BEIJING JINDINGKE CHEMICAL TEC (CN) 2008-03-12 CN disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
CN-1475473-A Low-melt viscosity naphthol phenolic aldehyde prepolymer and synthesis method thereof 北京玻璃钢研究设计院 2004-02-18 CN 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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI NQO2 2791/4885TRPM4 1721/4885CYP1A2 1255/4885

“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.