SCHEMBL6791017

SCHEMBL6791017

CCCc1cc(OCC(F)(F)F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
HMGCR P04035 1/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
HTT P42858 1/20 0.39
GPR3 P46089 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL5973989 0.79 THRB (0.47) ALOX5LMNAPPARDPPARAPPARG
SCHEMBL16648400 0.78 ALOX5 (0.49) ALOX5HMGCRESR1ESR2
SCHEMBL6798112 0.77 GABRA1 (0.51) CYP2C9CYP17A1CYP2C19ALDH1A1ALOX5
SCHEMBL10366349 0.76 MTNR1A (0.56) ALDH1A1ALOX5KDM4EMEN1LMNA
SCHEMBL1400639 0.75 ESR1 (0.51) ALOX5MEN1KMT2AHMGCRPPARD
SCHEMBL1898263 0.74 MAOB (0.55) CYP2C19ALOX5CYP1A2LMNA
SCHEMBL8148994 0.73 KDM4E (0.48) CYP2C9CYP17A1CYP2C19ALDH1A1RAB9A
SCHEMBL4450625 0.73 CYP2C9 (0.45) CYP2C9CYP17A1CYP2C19ALDH1A1CYP1A2
SCHEMBL2410166 0.73 PPARG (0.48) ALOX5MEN1LMNAKMT2AHMGCR
SCHEMBL8637743 0.73 LTA4H (0.56) ALDH1A1ALOX5KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713508-B2 SUCH AS 7-(3-(3-TRIFLUOROMETHYL-7-PROPYL-6-BENZ-(4,5)-ISOXAZOLOXY)PROPOXY)-2 -ETHYLCHROMANE-2-CARBOXYLIC ACID WHICH ARE POTENT AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MERCK & CO., INC. 2004-03-30 US disclosed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-08-01 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 (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-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG CYP2C9 2364/4885CYP17A1 1082/4885CYP2C19 2549/4885

“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.