SCHEMBL1343880

SCHEMBL1343880

COC(=O)C=Cc1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 7/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL1343879 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4365688 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4365691 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12130094 0.86 PPARG (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL25205663 0.85 RAB9A (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12129966 0.85 RAB9A (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12129980 0.83 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL25193198 0.83 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12129894 0.81 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1344220 0.81 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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-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 KMT2A 4550/4885MEN1 3720/4885ALDH1A1 692/4885
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF GPR119, LIPA, ALOX5 KMT2A 4550/4885MEN1 3720/4885ALDH1A1 692/4885

“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.