SCHEMBL6403846

SCHEMBL6403846

Oc1ccccc1-c1c(O)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54
CYP1A2 P05177 2/20 0.52
HSP90AA1 P07900 8/20 0.50
HSP90AB1 P08238 8/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.48
PAK1 Q13153 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DNMT1 P26358 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL22738260 0.88 CYP1A2 (0.59) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29360295 0.88 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL214870 0.88 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29492615 0.86 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL1840829 0.86 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
Hydrochloric Acid SCHEMBL31134043 0.86 PTPN22 (0.57) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL31410627 0.86 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL9060865 0.86 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29027 0.84 PTPN22 (0.65) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL15400598 0.84 PTPN22 (0.65) NSD2OPRM1OPRD1HKDC1PTPN22

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670585-B2 Electrochemical coupling of a phenol to a naphthol EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9670585-B2 Electrochemical coupling of a phenol to a naphthol EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-20160017505-A1 ELECTROCHEMICAL COUPLING OF A PHENOL TO A NAPHTHOL EVONIK DEGUSSA GMBH (CH) 2016-01-21 US disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
EP-2376411-B1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS TAKASAGO PERFUMERY CO LTD (JP) 2014-11-12 EP disclosed
US-8580991-B2 Aluminium complexes and use thereof as a catalyst in intramolecular ring closure reactions TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-12 US disclosed
US-8580991-B2 Aluminium complexes and use thereof as a catalyst in intramolecular ring closure reactions TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-12 US disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-04-07 US disclosed
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-04-07 US disclosed
EP-2279992-A1 ALUMINUM COMPLEX AND USE THEREOF Takasago International Corporation (JP) 2011-02-02 EP disclosed
WO-2010071227-A1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-24 WO disclosed
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2005-03-03 US disclosed
US-6838583-B2 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and the methods of using the same WARNER-LAMBERT COMPANY LLC (US) 2005-01-04 US disclosed
EP-1409443-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY (US) 2004-04-21 EP disclosed
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-01-15 US disclosed
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2002-08-15 US disclosed
WO-2002050001-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME WARNER-LAMBERT COMPANY (US) 2002-06-27 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 (6 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-20160017505-A1 ELECTROCHEMICAL COUPLING OF A PHENOL TO A NAPHTHOL NQO1, COMT, NQO2 NSD2 3230/4885OPRM1 1940/4885OPRD1 1732/4885
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 NSD2 1815/4885OPRM1 2578/4885OPRD1 3185/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 NSD2 1815/4885OPRM1 2578/4885OPRD1 3185/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 NSD2 2568/4885OPRM1 368/4885OPRD1 419/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 NSD2 1815/4885OPRM1 2578/4885OPRD1 3185/4885
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF C9, ALOX12, ALOX5 NSD2 4094/4885OPRM1 2449/4885OPRD1 4165/4885

“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.