SCHEMBL7524010

SCHEMBL7524010

CCCc1cc(C2CCC(F)(F)CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
ALOX5 P09917 1/20 0.38
QDPR P09417 4/20 0.38
ESR2 Q92731 3/20 0.36
EPHX2 P34913 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
HMGCR P04035 1/20 0.34
ACMSD Q8TDX5 2/20 0.34
DRD2 P14416 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B1 P14061 1/20 0.33

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
SCHEMBL5209202 0.87 PPARG (0.43) PPARGALOX5QDPRESR2EPHX2
SCHEMBL18403459 0.86 ALOX5 (0.45) ALOX5QDPRESR2EPHX2HMGCR
SCHEMBL5208280 0.82 EPHX2 (0.52) PPARGALOX5QDPREPHX2HDAC2
SCHEMBL2720383 0.81 ESR2 (0.50) ALOX5ESR2ESR1
SCHEMBL5210345 0.79 PPARG (0.42) PPARGALOX5QDPRESR2EPHX2
SCHEMBL10866678 0.76 SPHK1 (0.48) ALOX5
SCHEMBL23279544 0.75 SPHK1 (0.46) ESR2
SCHEMBL5214730 0.74 QDPR (0.41) QDPRESR2HDAC1HDAC2ACMSD
SCHEMBL16581509 0.74 ESR1 (0.38) PPARGALOX5QDPRESR2EPHX2
SCHEMBL27809930 0.74 ACMSD (0.48) QDPREPHX2HDAC2ACMSD

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-6465497-B2 SUBSTITUTED 5-ARYL-2,4-THIAZOLIDINEDIONES AND OXAZOLIDINEDIONES; AGONISTS OF PPAR (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR); USEFUL TREATING DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, AND OBESITY MERCK & CO., INC. 2002-10-15 US disclosed
EP-1194147-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-10-09 EP disclosed
US-6380191-B1 FOR TREATMENT, CONTROL OR PREVENTION OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA (INCLUDING HYPERCHOLESTEROLEMIA AND HYPERTRIGLYCERIDEMIA), ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO. INC. 2002-04-30 US disclosed
EP-1194147-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity MERCK & CO., INC. 2002-03-28 US disclosed
WO-2000078313-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 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 (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-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity PPARD, PPARA, PPARG PPARG 3/4885ALOX5 526/4885QDPR 1784/4885

“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.