SCHEMBL3674401

SCHEMBL3674401

COc1cc(O)c(OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
TUBB1 Q9H4B7 2/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HMGCR P04035 1/20 0.42
MAOA P21397 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL29421892 1.00 MAOB (0.48) MAOBTAAR1TUBB1HTTKDM4E
SCHEMBL14340764 0.90 MAOB (0.48) MAOBTAAR1TUBB1HTTCYP3A4
SCHEMBL11141284 0.87 TUBB1 (0.50) MAOBTUBB1HTTCYP3A4MAPT
SCHEMBL69624 0.87 MAOB (0.59) MAOBTAAR1HTTKDM4ELMNA
SCHEMBL30367766 0.85 CYP3A4 (0.50) MAOBTAAR1TUBB1KDM4ELMNA
SCHEMBL879021 0.85 CYP3A4 (0.50) MAOBTAAR1TUBB1KDM4ELMNA
SCHEMBL70697 0.85 CYP3A4 (0.50) MAOBTUBB1HTTKDM4ELMNA
SCHEMBL16328146 0.85 CYP3A4 (0.44) MAOBTAAR1TUBB1HTTKDM4E
SCHEMBL2954181 0.84 TAAR1 (0.56) TAAR1KDM4ECYP3A4MAPTHSD17B10
SCHEMBL29421900 0.82 HTT (0.50) MAOBTUBB1HTTKDM4ELMNA

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
CN-116590147-A Device, system and method for multi-factor detection of in vitro skin tissue culture 上海相宜本草化妆品股份有限公司 2023-08-15 CN disclosed
US-20180171148-A1 Bis-Azo Colorants for Use as Bluing Agents MILLIKEN & COMPANY 2018-06-21 US disclosed
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9938412-B2 Bis-azo colorants for use as bluing agents MILLIKEN & COMPANY (US) 2018-04-10 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
WO-2012052188-A1 QUINONE COMPOUNDS FOR USE IN PHOTOVOLTAICS RHODIA OPERATIONS (FR) 2012-04-26 WO disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
US-7687602-B2 Deproteinized natural rubber, its composition and use thereof SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-03-30 US disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 WO disclosed
US-20060252879-A1 Deproteinized natural rubber, its composition and use thereof SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2006-11-09 US disclosed
US-5234615-A Article comprising a water soluble bag containing a multiple use amount of a pelletized functional material and methods of its use ECOLAB INC. (US) 1993-08-10 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 MAOB 1074/4885TAAR1 4385/4885TUBB1 2846/4885

“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.