SCHEMBL2903031

SCHEMBL2903031

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.62
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 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
SCHEMBL2903035 1.00 ABCG2 (0.62) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL11094331 0.87 ABCG2 (0.70) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL11095055 0.87 ABCG2 (0.70) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL31167603 0.87 ABCG2 (0.79) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL2899795 0.86 MAPT (0.54) ABCG2MAPTLMNAGAAATM
SCHEMBL2899796 0.86 MAPT (0.54) ABCG2MAPTLMNAGAAATM
SCHEMBL2905637 0.85 ABCG2 (0.46) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL2905638 0.85 ABCG2 (0.46) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL2906974 0.85 AR (0.49) ABCG2MAPTLMNAALDH1A1NPC1
SCHEMBL2906544 0.85 AR (0.49) ABCG2MAPTLMNAALDH1A1NPC1

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 10 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-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 claimed
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 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
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 ABCG2 572/4885PDE4A 1841/4885PDE4B 1679/4885

“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.