SCHEMBL2902845

SCHEMBL2902845

CCOP(=O)(CC(=CC(=O)O)c1ccccc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PDPK1 O15530 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL2902839 1.00 NR1I2 (0.42) NR1I2MAPTMAPK1PDPK1SMN1; SMN2
SCHEMBL9240834 0.84 POLB (0.50) PDPK1SMN1; SMN2POLBLMNAMEN1
SCHEMBL17795933 0.79 LMNA (0.42) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL1305579 0.79 POLB (0.59) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL514913 0.79 NFE2L2 (0.43) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL514914 0.79 NFE2L2 (0.43) NR1I2MAPTMAPK1SMN1; SMN2POLB
SCHEMBL27546801 0.75 MAPT (0.38) NR1I2MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL2303273 0.75 PDPK1 (0.51) MAPTPDPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6515252 0.75 PDPK1 (0.51) MAPTPDPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2303277 0.75 PDPK1 (0.51) MAPTPDPK1SMN1; SMN2MEN1KMT2A

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
EP-1546083-B1 NOVEL SUBSTITUTED ARYLHEXADIENOIC ACIDS AND ESTERS THEREOF WHICH CAN BE USED FOR THE TREATMENT AND PREVENTION OF DIABETES, DYSLIPIDAEMIA AND ATHEROSCLEROSIS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION OF THEM MERCK PATENT GMBH (DE) 2010-08-11 EP disclosed
US-7737176-B2 Substituted arylhexadienoic acids and esters thereof which can be used for the treatment and prevention of diabetes, dyslipidaemia and atherosclerosis, pharmaceutical compositions comprising them and processes for the preparation of them MERCK PATENT GMBH (DE) 2010-06-15 US disclosed
US-20060052447-A1 Novel substituted arylhexadienoic acids and esters thereof which can be used for the treatment and prevention of diabetes, dyslipidaemia and atherosclerosis, pharmaceutical compositios comprising them and processes for the preparation of them MERCK PATENT GMBH (DE) 2006-03-09 US disclosed
EP-1546083-A1 NOVEL SUBSTITUTED ARYLHEXADIENOIC ACIDS AND ESTERS THEREOF WHICH CAN BE USED FOR THE TREATMENT AND PREVENTION OF DIABETES, DYSLIPIDAEMIA AND ATHEROSCLEROSIS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION OF THEM MERCK PATENT GmbH (DE) 2005-06-29 EP disclosed
WO-2004031116-A1 NOVEL SUBSTITUTED ARYLHEXADIENOIC ACIDS AND ESTERS THEREOF WHICH CAN BE USED FOR THE TREATMENT AND PREVENTION OF DIABETES, DYSLIPIDAEMIA AND ATHEROSCLEROSIS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION OF THEM MERCK PATENT GMBH (DE) 2004-04-15 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-20060052447-A1 Novel substituted arylhexadienoic acids and esters thereof which can be used for the treatment and prevention of diabetes, dyslipidaemia and atherosclerosis, pharmaceutical compositios comprising them and processes for the preparation of them CYP46A1, DHCR7, ALOX15B NR1I2 278/4885MAPT 4126/4885MAPK1 1718/4885

“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.