SCHEMBL4939476

SCHEMBL4939476

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.60
PPARG P37231 9/20 0.60
SLC6A9 P48067 5/20 0.46
CYP1A1 P04798 1/20 0.45
MAOB P27338 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PTPN1 P18031 1/20 0.45
PPARD Q03181 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL4939482 1.00 PPARA (0.60) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL4943527 0.88 PPARA (0.48) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL4943528 0.88 PPARA (0.48) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL1343050 0.81 PPARG (0.59) PPARAPPARGSLC6A9PTPN1SLC6A2
SCHEMBL11988779 0.76 PPARG (0.52) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL3062675 0.76 PPARG (0.52) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL3062673 0.76 PPARG (0.52) PPARAPPARGSLC6A9CYP1A1MAOB
SCHEMBL4940715 0.75 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL4940710 0.75 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL3977844 0.75 PPARG (0.62) PPARAPPARGSLC6A9PTPN1SLC6A2

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.