SCHEMBL2899795

SCHEMBL2899795

COc1ccc(O)c(C(=O)/C=C/C(C)=C/C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.52
PLIN1 O60240 1/20 0.52
GAA P10253 1/20 0.52
PLIN5 Q00G26 1/20 0.52
ABHD5 Q8WTS1 1/20 0.52
CHRNA7 P36544 2/20 0.51
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL2899796 1.00 MAPT (0.54) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL10991072 0.87 MAPT (0.61) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL2903035 0.86 ABCG2 (0.62) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2903031 0.86 ABCG2 (0.62) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9359004 0.81 HPGD (0.51) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL2905637 0.78 ABCG2 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2905638 0.78 ABCG2 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2905654 0.77 APP (0.52) MAPTSMN1; SMN2KDM4EGAANPC1
SCHEMBL2905659 0.77 APP (0.52) MAPTSMN1; SMN2KDM4EGAANPC1
SCHEMBL17220889 0.76 MAPT (0.80) MAPTMAPK1TDP1MEN1KMT2A

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-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 claimed
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 claimed
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

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 MAPT 4126/4885MAPK1 1718/4885TDP1 1033/4885

“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.