SCHEMBL311746

SCHEMBL311746

O=c1cc(-c2ccc(O)cc2F)[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.55
CTSL P07711 4/20 0.55
HPGD P15428 6/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
G6PD P11413 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDM4E B2RXH2 3/20 0.53
TUBB4A P04350 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL312866 0.87 HPGD (0.57) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL339070 0.83 CTSV (0.62) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL29411907 0.83 CTSV (0.62) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL311951 0.82 AR (0.47) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL26846933 0.81 KDM4E (0.52) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL26847051 0.79 HPGD (0.57) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL26846932 0.79 CTSV (0.50) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL311524 0.77 CTSV (0.75) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL26847068 0.77 HPGD (0.64) CTSVCTSLHPGDLMNAKMT2A
SCHEMBL26846989 0.77 HPGD (0.58) CTSVCTSLHPGDLMNAKMT2A

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 CTSV 3486/4885CTSL 3491/4885HPGD 138/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 CTSV 3486/4885CTSL 3491/4885HPGD 138/4885

“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.