SCHEMBL311336

SCHEMBL311336

O=c1cc(-c2ccc(O)c(O)c2)[nH]c2cc(O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
ALOX5 P09917 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
POLH Q9Y253 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 6/20 0.46
LMNA P02545 4/20 0.46
NR1I2 O75469 1/20 0.44
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL312386 0.87 KDM4E (0.55) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL312542 0.83 CTSV (0.66) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL31552890 0.80 KDM4E (0.51) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL311075 0.80 HPGD (0.47) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL311852 0.80 KDM4E (0.51) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL313903 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL311823 0.76 KDM4E (0.74) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL31439167 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL31439163 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL14692458 0.75 NR1I2 (0.54) TNKSPARP1ALOX5TNKS2POLH

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 TNKS 4486/4885PARP1 4272/4885ALOX5 986/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 TNKS 4486/4885PARP1 4272/4885ALOX5 986/4885

“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.