SCHEMBL1749434

SCHEMBL1749434

CCC(C)OCc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
RXRA P19793 7/20 0.53
RXRB P28702 6/20 0.53
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
RXRG P48443 1/20 0.46
NR4A2 P43354 4/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
KMT2A Q03164 1/20 0.44
RARB P10826 1/20 0.44

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
SCHEMBL3313827 0.84 RXRA (0.57) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL14018524 0.83 ALDH1A1 (0.50) ALDH1A1RXRARXRBMAPTKMT2A
SCHEMBL8012380 0.83 IDO1 (0.40)
SCHEMBL13355462 0.83 CA2 (0.50) ALDH1A1RXRARXRBPOLBRXRG
SCHEMBL9254278 0.82 RARB (0.55) ALDH1A1SMN1; SMN2MAPTKMT2ARARB
SCHEMBL20427410 0.82 RARB (0.52) ALDH1A1RXRARXRBMAPTKMT2A
SCHEMBL5605670 0.79 RXRA (0.49) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL9618261 0.79 RARB (0.63) ALDH1A1RXRARXRBNPC1RAB9A
SCHEMBL10049479 0.78 ALDH1A1 (0.52) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL14310474 0.77 TSHR (0.46) ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 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-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

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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885RXRA 3969/4885RXRB 3448/4885
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.