SCHEMBL311330

SCHEMBL311330

O=c1cc(-c2ccc(O)cc2)[nH]c2c(F)c(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ADORA2B P29275 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL313968 0.82 CTSV (0.49) KMT2AKDM4ECTSVCTSLLMNA
SCHEMBL312031 0.79 TERT (0.49) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL311827 0.79 ADORA2A (0.39) KMT2AKDM4EMEN1CTSVCTSL
SCHEMBL313992 0.77 SMN1; SMN2 (0.43) KMT2AKDM4EMEN1CTSVCTSL
SCHEMBL312025 0.76 KDM4E (0.51) KMT2AKDM4EMEN1CTSVCTSL
SCHEMBL312027 0.76 KDM4E (0.55) KMT2AKDM4ECTSVCTSLLMNA
SCHEMBL9389846 0.75 DAO (0.49) KDM4E
SCHEMBL311823 0.75 KDM4E (0.74) KMT2AKDM4EMEN1CTSVCTSL
SCHEMBL1848418 0.73 CTSV (0.52) KMT2AKDM4EMEN1CTSVCTSL
SCHEMBL312386 0.73 KDM4E (0.55) KMT2AKDM4EMEN1CTSVCTSL

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 KMT2A 2842/4885KDM4E 3504/4885MEN1 4653/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 KMT2A 2842/4885KDM4E 3504/4885MEN1 4653/4885

“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.