SCHEMBL313298

SCHEMBL313298

O=c1nc(-c2ccc(O)cc2)oc2cc(O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.61
ESR2 Q92731 8/20 0.61
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
MAOA P21397 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MPO P05164 1/20 0.54
CYP19A1 P11511 1/20 0.54
MAOB P27338 1/20 0.54
QPCT Q16769 1/20 0.54
IP6K2 Q9UHH9 1/20 0.54
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL311263 0.87 ESR1 (0.61) ESR1ESR2KDM4EHSD17B10CYP3A4
SCHEMBL311688 0.85 NPC1 (0.54) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL2158317 0.76 ESR1 (1.00) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL812662 0.75 NPC1 (0.53) KDM4EALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL310343 0.74 CYP3A4 (0.55) ESR1ESR2KDM4EHSD17B10CYP3A4
SCHEMBL27090228 0.74 ESR1 (0.96) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL7795159 0.74 MAOB (0.58) KDM4EALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL12755081 0.73 SMN1; SMN2 (0.54) KDM4EALDH1A1HSD17B10HPGDMAOA
SCHEMBL4476460 0.73 ESR1 (1.00) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL311429 0.72 MAOA (0.46) ESR1ESR2KDM4EALDH1A1HSD17B10

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 8 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 disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP 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
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP 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
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 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 (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 290/4885KDM4E 3504/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ESR1 357/4885ESR2 290/4885KDM4E 3504/4885

“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.