SCHEMBL4872021

SCHEMBL4872021

O=C(O)C(CC=Cc1ccccc1)Oc1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
TNFRSF1A P19438 7/20 0.39
GRIK1 P39086 3/20 0.36
GRIK2 Q13002 3/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
PAM P19021 1/20 0.35
GRIK3 Q13003 1/20 0.34
BCL2L1 Q07817 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL4873628 0.83 PIN1 (0.50) PIN1TNFRSF1APPARGPPARAERN1
SCHEMBL4872015 0.83 PIN1 (0.50) PIN1TNFRSF1APPARGPPARAERN1
SCHEMBL4873618 0.83 PIN1 (0.50) PIN1TNFRSF1APPARGPPARAERN1
SCHEMBL4872018 0.83 PIN1 (0.50) PIN1TNFRSF1APPARGPPARAERN1
SCHEMBL4875934 0.69 PPARA (0.58) GRIK1GRIK2PPARGPPARA
SCHEMBL4875939 0.69 PPARA (0.58) GRIK1GRIK2PPARGPPARA
SCHEMBL4875925 0.69 PPARA (0.58) GRIK1GRIK2PPARGPPARA
SCHEMBL4875927 0.69 PPARA (0.58) GRIK1GRIK2PPARGPPARA
SCHEMBL4054074 0.68 TNFRSF1A (0.43) TNFRSF1ABCL2L1ERN1
SCHEMBL11771050 0.67 APP (0.41) TNFRSF1AERN1

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 11 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 claimed
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
JP-2007536289-A 2007-12-13 JP 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
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 claimed
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 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 PIN1 4452/4885TNFRSF1A 1362/4885GRIK1 917/4885

“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.