SCHEMBL312809

SCHEMBL312809

O=c1c(-c2ccc(O)cc2)coc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 10/20 0.52
MAOA P21397 6/20 0.52
MAOB P27338 6/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
AKR1B10 O60218 2/20 0.52
LMNA P02545 2/20 0.52
TTR P02766 2/20 0.52
ESR1 P03372 2/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
CYP19A1 P11511 2/20 0.52
CYP2C9 P11712 2/20 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
SCHEMBL311566 0.77 ALDH2 (0.52) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL311201 0.75 MAOB (0.71) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL18676275 0.73 MAPT (0.68) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL31730763 0.73 ACVR1 (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL6641440 0.72 MAPK14 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL31730856 0.72 COMT (0.53) NPC1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL31730836 0.71 ACVR1 (0.59) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL312883 0.71 ALDH2 (0.64) ALDH2MAOAMAOBNPC1ALDH1A1
SCHEMBL312253 0.71 ALDH2 (0.60) ALDH2MAOAMAOBNPC1ALDH1A1
Daidzein SCHEMBL19814 0.69 KDM4E (1.00) ALDH2MAOAMAOBNPC1ALDH1A1

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 ALDH2 2121/4885MAOA 251/4885MAOB 385/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ALDH2 2121/4885MAOA 251/4885MAOB 385/4885

“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.