SCHEMBL4875925

SCHEMBL4875925

O=C(O)C(C/C=C\c1ccccc1)Oc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.58
PPARG P37231 15/20 0.58
LDHA P00338 1/20 0.49
GRIK1 P39086 3/20 0.47
GRIK2 Q13002 3/20 0.47
PPARD Q03181 2/20 0.45

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
SCHEMBL4875927 1.00 PPARA (0.58) PPARAPPARGLDHAGRIK1GRIK2
SCHEMBL4875934 1.00 PPARA (0.58) PPARAPPARGLDHAGRIK1GRIK2
SCHEMBL4875939 1.00 PPARA (0.58) PPARAPPARGLDHAGRIK1GRIK2
SCHEMBL4868233 0.78 PPARG (0.47) PPARAPPARG
SCHEMBL5599872 0.78 PPARG (0.47) PPARAPPARG
SCHEMBL4940757 0.77 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL4940760 0.77 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL4873618 0.76 PIN1 (0.50) PPARAPPARG
SCHEMBL4872015 0.76 PIN1 (0.50) PPARAPPARG
SCHEMBL4872018 0.76 PIN1 (0.50) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-01-17 US claimed
EP-1742903-B1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-08-22 EP claimed
US-7465752-B2 Pentenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2008-12-16 US disclosed
US-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-01-17 US disclosed
EP-1742903-B1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
EP-1742903-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105723-A1 PENTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2005-11-10 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-20080015253-A1 Pentenoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof ALOX5, GPR119, ALOX15B PPARA 62/4885PPARG 110/4885LDHA 1952/4885

“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.