SCHEMBL312584

SCHEMBL312584

O=c1cc(-c2ccc(O)c(CO)c2)oc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
CYP3A4 P08684 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 4/20 0.49
HPGD P15428 4/20 0.49
TNKS O95271 4/20 0.49
ALOX5 P09917 3/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
IP6K2 Q9UHH9 3/20 0.49
POLH Q9Y253 3/20 0.49
FTO Q9C0B1 3/20 0.49
PARP1 P09874 3/20 0.49
TNKS2 Q9H2K2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ST6GAL1 P15907 1/20 0.49
DHODH Q02127 1/20 0.49
CSNK2A2 P19784 3/20 0.46
CSNK2B P67870 3/20 0.46

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
SCHEMBL311509 0.86 POLH (0.62) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL312123 0.81 KDM4E (0.47) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL311223 0.80 KDM4E (0.60) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL313143 0.73 MEN1 (0.62) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL312399 0.68 KDM4E (0.62) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL312234 0.67 POLH (0.50) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL312857 0.67 POLH (0.53) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL345706 0.66 TNKS (1.00) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL29664745 0.66 TNKS (1.00) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL10001098 0.66 KDM4E (0.61) KDM4ECYP3A4MAPTSMN1; SMN2MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
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 (3 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 KDM4E 3504/4885CYP3A4 1730/4885MAPT 2914/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 KDM4E 3504/4885CYP3A4 1730/4885MAPT 2914/4885
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BCOR, BMI1, PHKB KDM4E 186/4885CYP3A4 4691/4885MAPT 2678/4885

“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.