SCHEMBL1750698

SCHEMBL1750698

CC(C)COCc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
RXRA P19793 7/20 0.54
RXRB P28702 6/20 0.54
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
RXRG P48443 1/20 0.47
MAPK1 P28482 1/20 0.47
NR4A2 P43354 4/20 0.46
MAPT P10636 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL25698415 0.86 ALDH1A1 (0.53) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL9256061 0.85 MAPT (0.62) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL9256064 0.85 MAPT (0.62) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL17662605 0.83 TBXAS1 (0.53) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL14966729 0.83 MAPK1 (0.49) ALDH1A1RXRARXRBNR1H4MAPK1
SCHEMBL9439348 0.82 ALDH1A1 (0.69) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL647273 0.82 CA1 (0.44) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL1749635 0.79 ALDH1A1 (0.61) ALDH1A1RXRARXRBNPC1POLB
SCHEMBL8301664 0.79 TAAR1 (0.47) NPC1RAB9AMAPTKMT2A
SCHEMBL9706723 0.78 ALDH1A1 (0.51) ALDH1A1RXRARXRBNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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-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.