SCHEMBL311433

SCHEMBL311433

O=c1nc(-c2ccc(O)c(O)c2)oc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 3/20 0.58
CYP3A4 P08684 2/20 0.58
ST6GAL1 P15907 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
FTO Q9C0B1 2/20 0.58
TNKS O95271 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PARP1 P09874 1/20 0.58
HPGD P15428 1/20 0.58
DHODH Q02127 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
IP6K2 Q9UHH9 1/20 0.58
POLH Q9Y253 1/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL812662 0.84 NPC1 (0.53) MAPTKDM4EMAPK1CYP3A4HSD17B10
SCHEMBL311688 0.83 NPC1 (0.54) MAPTKDM4EMAPK1CYP3A4ALOX15
SCHEMBL7576359 0.82 NPC1 (0.49) MAPTKDM4EMAPK1CYP3A4HSD17B10
SCHEMBL7869611 0.82 NPC1 (0.51) MAPTKDM4EMAPK1CYP3A4HSD17B10
SCHEMBL15147230 0.81 NOTUM (0.53) KDM4ECYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL4028915 0.79 ELANE (0.54) MAPTKDM4EMAPK1CYP3A4ALOX15
SCHEMBL4029088 0.79 ELANE (0.58) MAPTKDM4EMAPK1CYP3A4ALOX15
SCHEMBL30025603 0.79 ELANE (0.58) MAPTKDM4EMAPK1CYP3A4ALOX15
SCHEMBL2882726 0.78 NPC1 (0.58) MAPTKDM4EMAPK1CYP3A4HSD17B10
SCHEMBL16203168 0.78 KDM6B (0.67) ALOX5MAPTKDM4EMAPK1CYP3A4

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 ALOX5 986/4885MAPT 2914/4885KDM4E 3504/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ALOX5 986/4885MAPT 2914/4885KDM4E 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.