SCHEMBL451330

SCHEMBL451330

Nc1ccc(C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 3/20 0.55
PTPN1 P18031 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
ESR2 Q92731 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
THRB P10828 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MCL1 Q07820 2/20 0.50
HPGD P15428 2/20 0.50
KDR P35968 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL31377031 1.00 MAPT (0.55) MAPTALDH1A1CYP3A4PTPN1KDM4E
Hydrochloric Acid SCHEMBL6775126 0.98 MAPT (0.53) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL29626098 0.92 KDM4E (0.59) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL1683894 0.92 KDM4E (0.59) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL21647902 0.91 ALDH1A1 (0.50) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL1683900 0.91 ALDH1A1 (0.53) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL30014006 0.91 ALDH1A1 (0.53) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL21496159 0.90 KDM4E (0.57) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL6443680 0.90 ALDH1A1 (0.57) MAPTALDH1A1CYP3A4PTPN1KDM4E
SCHEMBL9185623 0.89 MCL1 (0.58) MAPTALDH1A1CYP3A4PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 US claimed
CN-103008146-A Energy-saving effort-saving liquid sprayer device UNIV CHANGZHOU 2013-04-03 CN claimed
JP-4445553-B2 2010-04-07 JP claimed
US-7632591-B2 Branched multiblock polybenzimidazole-benzamide copolymer and method for preparing the same, electrolyte membrane and paste/gel prepared therefrom LG CHEM, LTD. (KR) 2009-12-15 US claimed
JP-2008512561-A 2008-04-24 JP claimed
WO-2007055459-A1 BRANCHED MULTIBLOCK POLYBENZIMIDAZOLE-BENZAMIDE COPOLYMER AND METHOD FOR PREPARING THE SAME, ELECTROLYTE MEMBRANE AND PASTE/GEL PREPARED THEREFROM LG CHEM, LTD. (KR) 2007-05-18 WO claimed
US-20070111075-A1 Branched multiblock polybenzimidazole-benzamide copolymer and method for preparing the same, electrolyte membrane and paste/gel prepared therefrom LG CHEM, LTD. (KR) 2007-05-17 US claimed
EP-1095128-B1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2005-04-20 EP claimed
US-20050009727-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 US claimed
US-20040116320-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-06-17 US claimed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP claimed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO claimed
US-5391651-A Curable mixtures of mesogenic epoxy resins and mesogenic polyamines and cured compositions THE DOW CHEMICAL COMPANY (US) 1995-02-21 US claimed
EP-0573573-A1 MESOGENIC GLYCIDYL AMINES THE DOW CHEMICAL COMPANY (US) 1993-12-15 EP claimed
US-5270405-A Mesogenic epoxy compounds THE DOW CHEMICAL COMPANY (US) 1993-12-14 US claimed
US-5270404-A Curable compositions of mesogen-containing advanced epoxy resins and curing agents therefor THE DOW CHEMICAL COMPANY (US) 1993-12-14 US claimed
US-5218062-A Curable mixtures of mesogenic epoxy resins and mesogenic polyamines and cured compositions THE DOW CHEMICAL COMPANY (US) 1993-06-08 US claimed
WO-1992015630-A2 MESOGENIC GLYCIDYL AMINES THE DOW CHEMICAL COMPANY (US) 1992-09-17 WO claimed
EP-0475238-A2 Mesogenic glycidyl esters THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP claimed
EP-0473935-A2 Curable mixture of mesogenic epoxy resins and mesogenic polyamines and cured compositions THE DOW CHEMICAL COMPANY (US) 1992-03-11 EP claimed

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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same ADH1A, ADH1C, GK MAPT 52/4885ALDH1A1 142/4885CYP3A4 170/4885

“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.