SCHEMBL920604

SCHEMBL920604

[c]1ccc(/C=C\c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
NFE2L2 Q16236 4/20 0.50
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHAT P28329 2/20 0.46
TRPA1 O75762 3/20 0.44
RELA Q04206 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL48799 1.00 MAOB (0.52) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL210538 1.00 MAOB (0.52) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL28048995 0.97 MAOB (0.50) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL4074475 0.97 MAOB (0.54) MAOBNFE2L2CYP19A1MAOAMEN1
Styrene SCHEMBL28126887 0.89 ALDH1A1 (0.61) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL152100 0.88 MAOB (0.33) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL210914 0.88 MAOB (0.33) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL28254485 0.87 ALDH1A1 (0.58) MAOBNFE2L2CYP19A1MAOAMEN1
SCHEMBL8029201 0.85 MAOB (0.48) MAOBNFE2L2CYP19A1MAOAMEN1
(Z)-1,2-Diphenylethene SCHEMBL28743228 0.85 MAOB (0.69) MAOBNFE2L2CYP19A1MAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
CN-101641012-A Agricultural composition for controlling or preventing plant diseases caused by plant pathogenic microbes SUMITOMO CHEMICAL CO JP 2010-02-03 CN disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 WO 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 (4 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX MAOB 3656/4885NFE2L2 2825/4885CYP19A1 3009/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAOB 3730/4885NFE2L2 1424/4885CYP19A1 4327/4885
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L MAOB 3705/4885NFE2L2 2191/4885CYP19A1 2904/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MAOB 4351/4885NFE2L2 2195/4885CYP19A1 2876/4885

“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.