SCHEMBL312253

SCHEMBL312253

O=c1c(-c2ccc(O)cc2)coc2ccncc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 9/20 0.60
MAOA P21397 8/20 0.60
MAOB P27338 8/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HSD17B10 Q99714 3/20 0.60
TP53 P04637 3/20 0.60
CYP3A4 P08684 3/20 0.60
MAPT P10636 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
AKR1B10 O60218 2/20 0.60
LMNA P02545 2/20 0.60
TTR P02766 2/20 0.60
ESR1 P03372 2/20 0.60

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
SCHEMBL312883 0.88 ALDH2 (0.64) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL311201 0.78 MAOB (0.71) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
Daidzein SCHEMBL21114371 0.75 KDM4E (1.00) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
Daidzein SCHEMBL29374778 0.75 KDM4E (1.00) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
Daidzein SCHEMBL19814 0.75 KDM4E (1.00) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL73999 0.74 ALOX12 (1.00) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL29772934 0.74 ALOX12 (1.00) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL13556557 0.72 ALDH2 (0.80) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL2108287 0.72 ALDH2 (0.71) ALDH2MAOAMAOBXDH
SCHEMBL22417728 0.71 ALDH2 (0.74) ALDH2MAOAMAOBALDH1A1SMN1; 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 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.