SCHEMBL312113

SCHEMBL312113

O=c1cc(-c2ccc(O)cc2)oc2cc(O)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.59
HPGD P15428 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
IP6K2 Q9UHH9 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPK1 P28482 3/20 0.59
CYP19A1 P11511 3/20 0.59
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
QPCT Q16769 3/20 0.59
MPO P05164 2/20 0.59
KMT2A Q03164 5/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 4/20 0.56
TNKS O95271 4/20 0.56
TP53 P04637 4/20 0.56
MEN1 O00255 4/20 0.56
TDP1 Q9NUW8 3/20 0.56

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
SCHEMBL312565 0.82 CYP3A4 (0.52) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL311223 0.81 KDM4E (0.60) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL314322 0.79 CYP3A4 (0.52) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL312658 0.77 CYP3A4 (0.46) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL312151 0.76 CYP3A4 (0.59) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL312751 0.76 MAPT (0.59) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL312139 0.75 MAPT (0.66) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL312368 0.75 CYP3A4 (0.66) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL157723 0.74 CYP3A4 (1.00) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E
SCHEMBL31167385 0.74 CYP3A4 (1.00) CYP3A4HPGDSMN1; SMN2IP6K2KDM4E

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-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
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 CYP3A4 1730/4885HPGD 138/4885SMN1; SMN2 2736/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 CYP3A4 1730/4885HPGD 138/4885SMN1; SMN2 2736/4885

“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.