SCHEMBL2906548

SCHEMBL2906548

COc1ccc(Cl)cc1C(=O)C=CC(C)=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
CXCL12 P48061 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
KCNMA1 Q12791 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2906544 1.00 AR (0.49) ARALDH1A1LMNACXCL12HPGD
SCHEMBL2906974 1.00 AR (0.49) ARALDH1A1LMNACXCL12HPGD
SCHEMBL2903031 0.85 ABCG2 (0.62) ALDH1A1LMNAMAPTNPC1ABCG2
SCHEMBL2903035 0.85 ABCG2 (0.62) ALDH1A1LMNAMAPTNPC1ABCG2
SCHEMBL2906287 0.82 ABCG2 (0.42) ALDH1A1LMNAMAPTABCG2
SCHEMBL2906283 0.82 ABCG2 (0.42) ALDH1A1LMNAMAPTABCG2
SCHEMBL2905541 0.82 ABCG2 (0.42) ALDH1A1LMNAMAPTABCG2
SCHEMBL21436831 0.76 AR (0.52) ARALDH1A1LMNACXCL12MAPT
SCHEMBL21436829 0.76 AR (0.52) ARALDH1A1LMNACXCL12MAPT
SCHEMBL10918841 0.76 ABCG2 (0.57) ARALDH1A1CXCL12MAPTNPC1

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 6 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 claimed
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 AR 2450/4885ALDH1A1 495/4885LMNA 1526/4885

“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.