SCHEMBL4873618

SCHEMBL4873618

O=C(O)C(C/C=C\c1ccccc1)Oc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
PPARG P37231 13/20 0.46
PPARA Q07869 12/20 0.46
APP P05067 2/20 0.43
TNFRSF1A P19438 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ERN1 O75460 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
SCHEMBL4872018 1.00 PIN1 (0.50) PIN1PPARGPPARAAPPTNFRSF1A
SCHEMBL4873628 1.00 PIN1 (0.50) PIN1PPARGPPARAAPPTNFRSF1A
SCHEMBL4872015 1.00 PIN1 (0.50) PIN1PPARGPPARAAPPTNFRSF1A
SCHEMBL4872021 0.83 PIN1 (0.50) PIN1PPARGPPARATNFRSF1AERN1
SCHEMBL4868233 0.81 PPARG (0.47) PPARGPPARA
SCHEMBL5599872 0.81 PPARG (0.47) PPARGPPARA
SCHEMBL12130114 0.80 PPARG (0.44) PPARGPPARAAPPTNFRSF1AERN1
SCHEMBL1435567 0.79 PPARG (0.57) PPARGPPARA
SCHEMBL4875934 0.76 PPARA (0.58) PPARGPPARA
SCHEMBL4875939 0.76 PPARA (0.58) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIN1 4452/4885PPARG 110/4885PPARA 62/4885

“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.