SCHEMBL721991

SCHEMBL721991

C=CCc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
MAOA P21397 4/20 0.48
POLB P06746 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
XDH P47989 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
F12 P00748 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5606647 0.87 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL27922627 0.83 MAOB (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL8381918 0.83 MAOB (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL8565889 0.81 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL12708377 0.80 ACHE (0.47) MAOBMAOAPOLBCA12CA9
SCHEMBL8420073 0.80 CA12 (0.54) MAOBMAOAPOLBCA12CA9
SCHEMBL4013115 0.80 MAOB (0.55) MAOBMAOAPOLBCA12CA9
SCHEMBL5711170 0.80 CA12 (0.54) MAOBMAOAPOLBCA12CA9
SCHEMBL8178252 0.78 CA12 (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL12394345 0.77 CA12 (0.48) MAOBMAOAPOLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170804-B1 Method of producing 2-phenoxyacetals and the corresponding 2-phenoxy-carbaldehydes therefrom SALTIGO GMBH (DE) 2013-08-28 EP disclosed
US-8124813-B2 Method of producing 2-phenoxyacetals and the corresponding 2-phenoxy-carbaldehydes therefrom SALTIGO GMBH (DE) 2012-02-28 US disclosed
US-20100286449-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM SALTIGO GMBH (DE) 2010-11-11 US disclosed
EP-2170804-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM Saltigo GmbH (DE) 2010-04-07 EP disclosed
WO-2009000651-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM SALTIGO GMBH (DE) 2008-12-31 WO disclosed
CN-1268601-C Intermediates for making benzofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE SA (FR) 2006-08-09 CN disclosed
CN-1268601-C Intermediates for making benzofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE SA (FR) 2006-08-09 CN disclosed
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP disclosed
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP disclosed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US disclosed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US disclosed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed
CN-1379754-A Intermediate for producing benzofuran or benzothiophene type derivative nitrated at 5-position and use thereof RHODIA CHIMIE SA (FR) 2002-11-13 CN disclosed
CN-1379754-A Intermediate for producing benzofuran or benzothiophene type derivative nitrated at 5-position and use thereof RHODIA CHIMIE SA (FR) 2002-11-13 CN disclosed
EP-1222159-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2002-07-17 EP disclosed
EP-1222159-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2002-07-17 EP disclosed
WO-2001028974-A3 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2001-12-06 WO disclosed
WO-2001028974-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2001-04-26 WO disclosed
WO-2001028974-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2001-04-26 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 (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-20100286449-A1 METHOD OF PRODUCING 2-PHENOXYACETALS AND THE CORRESPONDING 2-PHENOXY-CARBALDEHYDES THEREFROM CYP2B6, CYP2A6, UGT1A6 MAOB 75/4885MAOA 137/4885POLB 1813/4885
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SULT1A1, SULT1E1, FPR1 MAOB 170/4885MAOA 228/4885POLB 2928/4885

“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.