SCHEMBL70697

SCHEMBL70697

COc1cc(O)c(C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
G6PD P11413 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR6 P51684 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.48
TUBB1 Q9H4B7 3/20 0.44

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
SCHEMBL29421900 0.87 HTT (0.50) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL11141284 0.87 TUBB1 (0.50) CYP3A4MAPTHPGDALDH1A1MAOB
SCHEMBL69624 0.87 MAOB (0.59) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL16328146 0.85 CYP3A4 (0.44) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL879021 0.85 CYP3A4 (0.50) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL30367766 0.85 CYP3A4 (0.50) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL29421892 0.85 MAOB (0.48) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL3674401 0.85 MAOB (0.48) CYP3A4MAPTKDM4EHPGDHSD17B10
SCHEMBL14340764 0.85 MAOB (0.48) CYP3A4MAPTHPGDALDH1A1MAOB
SCHEMBL11233383 0.81 MAOB (0.54) CYP3A4MAPTKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160097755-A1 METHOD FOR DETECTING, CAPTURING AND/OR RELEASING CHEMICAL ELEMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-04-07 US disclosed
US-20130306917-A1 QUINONE COMPOUNDS FOR USE IN PHOTOVOLTAIC APPLICATION RHODIA OPERATIONS (FR) 2013-11-21 US disclosed
US-20130109684-A1 GRP94 INHIBITORS UNIVERSITY OF KANSAS (US) 2013-05-02 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 US disclosed
US-20070054207-A1 Electrophotographic photoreceptor, image forming apparatus, and process cartridge RICOH COMPANY LIMITED (JP) 2007-03-08 US disclosed
EP-0065720-B1 PROCESS FOR PREPARING HYDROXYPHENYL AMINE DERIVATIVES CASSELLA Aktiengesellschaft (DE) 1985-01-09 EP disclosed
EP-0065720-A1 Process for preparing hydroxyphenyl amine derivatives CASSELLA Aktiengesellschaft (DE) 1982-12-01 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP3A4 2028/4885MAPT 1923/4885KDM4E 717/4885
US-20130109684-A1 GRP94 INHIBITORS HSP90B1, HSP90AB2P, HSPD1 CYP3A4 3185/4885MAPT 767/4885KDM4E 4496/4885

“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.