SCHEMBL7820872

SCHEMBL7820872

CCCCc1ccc(NC(=O)/C=C\C(=O)O)cc1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.89
THRA P10827 3/20 0.89
NMT1 P30419 1/20 0.59
LPAR2 Q9HBW0 1/20 0.58
LPAR3 Q9UBY5 1/20 0.58
POLB P06746 1/20 0.57
TDP2 O95551 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PLA2G1B P04054 7/20 0.56
ATG4B Q9Y4P1 7/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
NR4A1 P22736 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
CYP1A2 P05177 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL7820877 1.00 THRB (0.89) THRBTHRANMT1LPAR2LPAR3
SCHEMBL28084259 0.94 THRA (1.00) THRBTHRANMT1PLA2G1BATG4B
SCHEMBL28084264 0.94 THRA (1.00) THRBTHRANMT1PLA2G1BATG4B
SCHEMBL9354320 0.94 THRA (1.00) THRBTHRANMT1PLA2G1BATG4B
SCHEMBL9354327 0.94 THRA (1.00) THRBTHRANMT1PLA2G1BATG4B
SCHEMBL22862119 0.92 THRB (0.76) THRBTHRANMT1LPAR2LPAR3
SCHEMBL7821478 0.84 THRB (0.68) THRBTHRANMT1LPAR2LPAR3
SCHEMBL2462042 0.84 THRB (0.68) THRBTHRANMT1LPAR2LPAR3
SCHEMBL2462040 0.84 THRB (0.68) THRBTHRANMT1LPAR2LPAR3
SCHEMBL22862118 0.83 THRB (0.67) THRBTHRANMT1LPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739279-A2 NOVEL ANILINE DERIVATIVES AND USE THEREOF Neomics Co., Ltd. (KR) 2014-06-11 EP claimed
US-20140142333-A1 NOVEL ANILINE DERIVATIVES AND USE THEREOF NEOMICS Co, Ltd. (KR) 2014-05-22 US claimed
WO-2013019093-A2 NOVEL ANILINE DERIVATIVES AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2013-02-07 WO claimed
CN-106317310-B A kind of acrylamide copolymer and its preparation method and application 中国石油化工股份有限公司 2018-08-17 CN disclosed
CN-106317310-A Acrylamide copolymer, preparation method therefor and application of acrylamide copolymer 中国石油化工股份有限公司 2017-01-11 CN disclosed
CN-104418974-B A kind of preparation method of polyacrylamide emulsion 中国石油化工股份有限公司 2016-08-17 CN disclosed
EP-2739279-A2 NOVEL ANILINE DERIVATIVES AND USE THEREOF Neomics Co., Ltd. (KR) 2014-06-11 EP disclosed
US-20140142333-A1 NOVEL ANILINE DERIVATIVES AND USE THEREOF NEOMICS Co, Ltd. (KR) 2014-05-22 US disclosed
US-20140142333-A1 NOVEL ANILINE DERIVATIVES AND USE THEREOF NEOMICS Co, Ltd. (KR) 2014-05-22 US disclosed
US-20140142333-A1 NOVEL ANILINE DERIVATIVES AND USE THEREOF NEOMICS Co, Ltd. (KR) 2014-05-22 US disclosed
WO-2013019093-A2 NOVEL ANILINE DERIVATIVES AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2013-02-07 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20140142333-A1 NOVEL ANILINE DERIVATIVES AND USE THEREOF MCL1, GOT2, DDX21 THRB 3045/4885THRA 3847/4885NMT1 2434/4885

“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.