SCHEMBL1749934

SCHEMBL1749934

CCCOCc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
RXRA P19793 5/20 0.56
RXRB P28702 4/20 0.56
PLA2G4B P0C869 1/20 0.55
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RARB P10826 3/20 0.50
RXRG P48443 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NR4A2 P43354 2/20 0.47

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
Benzoic Acid SCHEMBL4541255 0.89 NR4A2 (0.53) ALDH1A1RXRARXRBPLA2G4BSMN1; SMN2
SCHEMBL1750568 0.89 PLA2G4B (0.63) ALDH1A1RXRARXRBPLA2G4BNPC1
SCHEMBL1749669 0.88 PLA2G4B (0.65) ALDH1A1PLA2G4BRARBTP53TSHR
SCHEMBL15153312 0.86 PLA2G4B (0.67) ALDH1A1PLA2G4BRARBTP53TSHR
SCHEMBL9321559 0.86 PLA2G4B (0.67) ALDH1A1PLA2G4BRARBTP53TSHR
Terephthalic Acid SCHEMBL5179959 0.86 RARB (0.57) ALDH1A1PLA2G4BSMN1; SMN2RARBTP53
SCHEMBL1749635 0.85 ALDH1A1 (0.61) ALDH1A1RXRARXRBPLA2G4BNPC1
SCHEMBL9439348 0.84 ALDH1A1 (0.69) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL8067972 0.84 RARB (0.65) ALDH1A1PLA2G4BRARBTP53TSHR
SCHEMBL8051888 0.84 ALDH1A1 (0.43) ALDH1A1RXRARXRBPLA2G4BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420824-B Preparation method of alkoxy methyl benzoic acid YANTAI VALIANT FINE CHEMICALS CO LTD 2015-06-17 CN disclosed
CN-103420824-A Preparation method of alkoxy methyl benzoic acid YANTAI VALIANT FINE CHEMICALS CO LTD 2013-12-04 CN disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
EP-1010687-A2 Ester derivative, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 2000-06-21 EP disclosed
US-5755994-A LARGE DIELECTRIC ANISOTROPIC CHISSO CORPORATION (JP) 1998-05-26 US disclosed
CN-1136067-A Liquid crystalline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1996-11-20 CN disclosed
EP-0738709-A2 Ester derivate, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-10-23 EP 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 (3 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ALDH1A1 286/4885RXRA 2157/4885RXRB 2226/4885
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC ALDH1A1 196/4885RXRA 1077/4885RXRB 1865/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885RXRA 1871/4885RXRB 1860/4885

“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.