SCHEMBL5488938

SCHEMBL5488938

O=c1c(-c2ccc(O)cc2)c(CC(O)CO)oc2cc(O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
ESR1 P03372 5/20 0.52
ESR2 Q92731 3/20 0.50
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 5/20 0.49
CYP3A4 P08684 4/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP19A1 P11511 3/20 0.48
ACP1 P24666 4/20 0.47

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
SCHEMBL14185194 0.78 PPARG (0.57) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL2181592 0.78 PPARG (0.81) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL3421118 0.78 PPARG (0.62) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL2334416 0.76 PPARG (0.55) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL8484064 0.76 PPARG (0.60) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL2182484 0.76 PPARG (0.91) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL365536 0.75 ESR1 (0.65) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL17159756 0.75 PPARG (0.62) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL14185242 0.74 PPARG (0.65) PPARGESR1ESR2KDM4EALDH1A1
SCHEMBL14185183 0.73 PPARG (0.63) PPARGESR1ESR2KDM4EALDH1A1

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
US-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE VALLEE BERT L 2007-11-22 US disclosed
EP-1077697-B1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2006-07-19 EP disclosed
EP-1645272-A2 Daidzin derivatives for the treatment of alcohol dependence or alcohol abuse THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2006-04-12 EP disclosed
EP-1077697-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2001-02-28 EP disclosed
US-6121010-A SCREENING FOR COMPOUNDS WHICH REDUCE ALCOHOL (ETHANOL) CONSUMPTION BY DETERMINING EFFECTIVENESS FOR INHIBITING ALDEHYDE DEHYDROGENASE ACTIVITY ON ALDEHYDES DERIVED FROM SUBSTRATES OF MONOAMINE OXIDASE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 2000-09-19 US disclosed
WO-1999058124-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-11-18 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-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ADH1A, ADH5, ADH1C PPARG 1086/4885ESR1 4519/4885ESR2 3521/4885

“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.