SCHEMBL312688

SCHEMBL312688

O=c1cc(-c2ccc(O)cc2O)oc2cncnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.55
TYR P14679 1/20 0.55
PTPN1 P18031 1/20 0.55
PTGS1 P23219 1/20 0.55
PTPN12 Q05209 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 4/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 3/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NEU2 Q9Y3R4 1/20 0.43

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 0.83 CYP3A4 (0.52) BACE1MEN1KMT2AHPGDCYP3A4
SCHEMBL313143 0.80 MEN1 (0.62) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL311738 0.78 HPGD (0.53) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312857 0.78 POLH (0.53) BACE1TYRMEN1KMT2AHPGD
SCHEMBL311757 0.78 MAOB (0.39) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312877 0.77 HPGD (0.66) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL312346 0.76 BACE1 (0.51) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL313278 0.74 HPGD (0.66) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL6832163 0.72 HPGD (0.80) BACE1TYRPTPN1PTGS1PTPN12
Norartocarpetin SCHEMBL29435851 0.71 BACE1 (1.00) BACE1TYRPTPN1PTGS1PTPN12

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 BACE1 1471/4885TYR 1745/4885PTPN1 323/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 BACE1 1471/4885TYR 1745/4885PTPN1 323/4885

“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.