SCHEMBL313992

SCHEMBL313992

O=c1cc(-c2ccc(O)cc2)[nH]c2ccc(F)c(F)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
PDE10A Q9Y233 2/20 0.40
THRB P10828 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
SCHEMBL311903 0.82 CTSV (0.49) CTSVCTSLKDM4EALDH1A1HPGD
SCHEMBL312015 0.79 MEN1 (0.46) SMN1; SMN2CTSVCTSLKDM4EALDH1A1
SCHEMBL311542 0.79 KMT2A (0.42) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL311827 0.79 ADORA2A (0.39) SMN1; SMN2CTSVCTSLKDM4EKMT2A
SCHEMBL311330 0.77 KMT2A (0.43) SMN1; SMN2CTSVCTSLKDM4EALDH1A1
SCHEMBL312037 0.76 HPGD (0.50) SMN1; SMN2CTSVCTSLKDM4EALDH1A1
SCHEMBL312025 0.76 KDM4E (0.51) SMN1; SMN2CTSVCTSLKDM4EALDH1A1
SCHEMBL9389006 0.75 DAO (0.54)
SCHEMBL312265 0.75 SMN1; SMN2 (0.74) SMN1; SMN2CTSVCTSLKDM4EALDH1A1
SCHEMBL311728 0.74 ESR1 (0.49) SMN1; SMN2CTSVCTSLKDM4EALDH1A1

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 SMN1; SMN2 2736/4885CTSV 3486/4885CTSL 3491/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 SMN1; SMN2 2736/4885CTSV 3486/4885CTSL 3491/4885

“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.