SCHEMBL311429

SCHEMBL311429

O=c1nc(-c2ccc(O)cc2)oc2c(O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
EGFR P00533 1/20 0.46
ESR2 Q92731 8/20 0.43
TNKS O95271 2/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ESR1 P03372 6/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
RAF1 P04049 1/20 0.42
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ATP1A1 P05023 2/20 0.42
ATP1B1 P05026 2/20 0.42
ATP1A3 P13637 2/20 0.42
ATP1B2 P14415 2/20 0.42

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
SCHEMBL5842491 0.80 MAOA (0.51) MAOAEGFRESR2ESR1MEN1
SCHEMBL311688 0.80 NPC1 (0.54) MAOAESR2TNKSESR1MEN1
SCHEMBL310343 0.78 CYP3A4 (0.55) MAOAESR2ESR1MEN1CYP3A4
SCHEMBL313298 0.72 ESR1 (0.61) MAOAESR2ESR1MEN1CYP3A4
SCHEMBL311263 0.72 ESR1 (0.61) MAOAESR2TNKSESR1MEN1
SCHEMBL311865 0.71 TERT (0.68) MAOATNKSMEN1CYP3A4HPGD
SCHEMBL14302129 0.70 ERAP1 (0.52) MAOAEGFRESR2ESR1MEN1
SCHEMBL15775567 0.70 PARP1 (0.61) EGFRTNKSPARP1TNKS2KDM4E
SCHEMBL812662 0.70 NPC1 (0.53) MAOATNKSPARP1TNKS2MEN1
SCHEMBL1040237 0.69 DHODH (0.62) ESR2ESR1HPGDDHODHSMN1; SMN2

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 MAOA 251/4885EGFR 4127/4885ESR2 290/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 MAOA 251/4885EGFR 4127/4885ESR2 290/4885

“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.