SCHEMBL1342998

SCHEMBL1342998

O=C(O)C(CCC1=CCCCC1)Oc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.39
PPARA Q07869 13/20 0.39
APP P05067 2/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1435567 0.83 PPARG (0.57) PPARGPPARA
SCHEMBL12812689 0.81 PPARG (0.49) PPARGPPARA
SCHEMBL13418735 0.81 PPARG (0.49) PPARGPPARAALDH1A1
SCHEMBL1341176 0.81 PPARG (0.41) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL12130114 0.79 PPARG (0.44) PPARGPPARAAPP
SCHEMBL13418733 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL1344220 0.78 ALDH1A1 (0.56) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL12129845 0.78 NPC1 (0.46) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL12130094 0.77 PPARG (0.54) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL12812714 0.76 PPARA (0.44) PPARGPPARAAPP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US claimed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US claimed
JP-2007536290-A 2007-12-13 JP claimed
EP-1742902-B1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-09-26 EP claimed
EP-1742902-A1 HEXENOIC 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-2005105724-A1 HEXENOIC 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-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 US disclosed
US-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 US disclosed
US-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 US disclosed
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US disclosed
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US disclosed
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US disclosed
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF ZEILLER JEAN JACQUES 2009-11-19 US disclosed
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF ZEILLER JEAN JACQUES 2009-11-19 US disclosed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1742902-B1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-09-26 EP disclosed
EP-1742902-A1 HEXENOIC 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-2005105724-A1 HEXENOIC 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 (2 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-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof GPR119, LIPA, ALOX5 PPARG 95/4885PPARA 81/4885APP 1483/4885
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF GPR119, LIPA, ALOX5 PPARG 95/4885PPARA 81/4885APP 1483/4885

“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.