SCHEMBL3586640

SCHEMBL3586640

CCCc1cc(CC(=O)OC)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
GAA P10253 3/20 0.60
GFER P55789 1/20 0.60
TLR7 Q9NYK1 3/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HMGCR P04035 2/20 0.49
HSP90AB1 P08238 1/20 0.49
ALOX5 P09917 1/20 0.48
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CKS1B P61024 1/20 0.47
SKP2 Q13309 1/20 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
SCHEMBL4031952 0.88 ALDH1A1 (0.53) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL8145260 0.87 ALDH1A1 (0.68) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL12508636 0.86 CYP4F2 (0.51) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL6559232 0.83 HPGD (0.61) ALDH1A1GAAALOX5HPGDHIF1A
SCHEMBL14420205 0.83 CYP4F2 (0.49) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL14420218 0.83 TLR7 (0.51) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL22273409 0.83 ALDH1A1 (0.67) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL7045983 0.82 HSP90AB1 (0.58) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL28002414 0.81 HSP90AB1 (0.53) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL17749006 0.81 KAT8 (0.54) ALDH1A1GAAGFERTLR7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
EP-1776111-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-04-25 EP disclosed
EP-1751120-A2 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-14 EP disclosed
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US disclosed
WO-2006020916-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-02-23 WO disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
US-4617407-A ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1986-10-14 US 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA ALDH1A1 1842/4885GAA 824/4885GFER 2464/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA ALDH1A1 1842/4885GAA 824/4885GFER 2464/4885
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 ALDH1A1 2436/4885GAA 1007/4885GFER 2552/4885

“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.