SCHEMBL313143

SCHEMBL313143

O=c1cc(-c2ccc(O)cc2O)oc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TYR P14679 1/20 0.56
PTPN1 P18031 1/20 0.56
PTGS1 P23219 1/20 0.56
BACE1 P56817 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
PDE4D Q08499 8/20 0.53
TP53 P04637 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL311223 0.83 KDM4E (0.60) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL312346 0.80 BACE1 (0.51) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL312688 0.80 BACE1 (0.55) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL311509 0.78 POLH (0.62) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL311921 0.78 CYP3A4 (0.62) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL311135 0.77 MAOB (0.44) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL4650047 0.77 HPGD (1.00) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL10432571 0.73 ESR1 (0.70) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL6832163 0.73 HPGD (0.80) MEN1KMT2AHPGDCYP3A4CYP2C9
SCHEMBL312584 0.73 KDM4E (0.49) MEN1KMT2AHPGDCYP3A4CYP2C9

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 MEN1 4653/4885KMT2A 2842/4885HPGD 138/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 MEN1 4653/4885KMT2A 2842/4885HPGD 138/4885

“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.