SCHEMBL311729

SCHEMBL311729

O=C1CC(c2ccc(O)cc2)=Nc2cc(O)cc(O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.41
ESR2 Q92731 10/20 0.41
CYP19A1 P11511 4/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B1 P14061 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLCO2B1 O94956 2/20 0.37
TTR P02766 2/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1B1 P15121 2/20 0.37
DPP4 P27487 2/20 0.37
PSMB5 P28074 2/20 0.37
CYP2C19 P33261 2/20 0.37
ABCC1 P33527 2/20 0.37
GSK3B P49841 2/20 0.37
CYP1B1 Q16678 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL11898055 0.74 MAOA (0.41) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL12266859 0.70 ESR2 (0.50) ESR1ESR2RXFP1BCHEMAOB
SCHEMBL30982744 0.69 ESR1 (0.39) ESR1ESR2CYP19A1CYP3A4HSD17B1
SCHEMBL9385776 0.67 TP53 (0.45) ESR1ESR2KMT2ATDP1RXFP1
SCHEMBL5890294 0.66 NQO1 (0.62) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL12266836 0.64 ESR1 (0.46) ESR1ESR2MEN1KMT2AALOX12
SCHEMBL12103409 0.63 ESR1 (0.39) ESR1ESR2MEN1KMT2ARXFP1
SCHEMBL4545213 0.61 ESR2 (0.41) ESR1ESR2CYP19A1CYP3A4HSD17B1
SCHEMBL14438571 0.61 MAPT (0.40) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL30982469 0.61 RECQL (0.39) ESR1ESR2CYP19A1CYP3A4MEN1

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
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US claimed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US claimed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP claimed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US claimed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US claimed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 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 (2 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-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 ESR1 357/4885ESR2 290/4885CYP19A1 161/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ESR1 357/4885ESR2 290/4885CYP19A1 161/4885

“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.