SCHEMBL312444

SCHEMBL312444

O=c1cc(-c2ccc(O)cc2)oc2c(O)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.54
CDK5R1 Q15078 2/20 0.54
CBS P35520 2/20 0.54
TERT O14746 1/20 0.54
PTPN1 P18031 1/20 0.54
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 4/20 0.52
PKM P14618 3/20 0.52
APEX1 P27695 2/20 0.52
POLB P06746 2/20 0.52
INPPL1 O15357 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
GAA P10253 1/20 0.52
ALPG P10696 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL311737 0.79 TDP1 (0.52) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL311589 0.79 CYP3A4 (0.49) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL311223 0.77 KDM4E (0.60) CDK5CDK5R1KMT2AMAPTTDP1
SCHEMBL311892 0.77 KMT2A (0.58) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL311740 0.77 TERT (0.61) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL23299597 0.75 CDK5 (0.72) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL311865 0.73 TERT (0.68) CDK5CDK5R1CBSTERTPTPN1
SCHEMBL311484 0.72 MAPT (0.60) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL312113 0.72 CYP3A4 (0.59) CDK5CDK5R1KMT2AMAPTTDP1
SCHEMBL10305796 0.71 TERT (0.66) CDK5CDK5R1CBSTERTPTPN1

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 CDK5 1928/4885CDK5R1 1433/4885CBS 2428/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 CDK5 1928/4885CDK5R1 1433/4885CBS 2428/4885

“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.