SCHEMBL4943527

SCHEMBL4943527

CCOC(=O)C(CC/C=C/c1ccccc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.48
PPARG P37231 5/20 0.48
SLC6A9 P48067 8/20 0.44
PPARD Q03181 4/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
MAOB P27338 2/20 0.42
PTPN1 P18031 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL4943528 1.00 PPARA (0.48) PPARAPPARGSLC6A9PPARDCYP1A1
SCHEMBL4939476 0.88 PPARA (0.60) PPARAPPARGSLC6A9PPARDCYP1A1
SCHEMBL4939482 0.88 PPARA (0.60) PPARAPPARGSLC6A9PPARDCYP1A1
SCHEMBL4940757 0.85 PPARA (0.45) PPARAPPARGPPARDMAOB
SCHEMBL4940760 0.85 PPARA (0.45) PPARAPPARGPPARDMAOB
SCHEMBL4942052 0.82 PPARG (0.45) PPARAPPARGSLC6A9PPARDCYP1A1
SCHEMBL4940963 0.78 PPARA (0.39) PPARAPPARGPPARDPTPN1
SCHEMBL4940962 0.78 PPARA (0.39) PPARAPPARGPPARDPTPN1
SCHEMBL21991735 0.78 PPARG (0.48) PPARAPPARGSLC6A9PPARDCYP1A1
SCHEMBL11361509 0.77 PPARG (0.52) PPARAPPARGSLC6A9PPARDCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1838655-A1 6-PHENYLHEX-5-ENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-10-03 EP disclosed
WO-2006074797-A1 6-PHENYLHEX-5-ENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 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-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof PCSK9, HMGCR, LIPA PPARA 56/4885PPARG 178/4885SLC6A9 4248/4885

“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.