SCHEMBL5313705

SCHEMBL5313705

O=C1c2ccccc2OC(c2ccccc2)C1(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 6/20 0.57
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ADORA3 P0DMS8 3/20 0.46
MAOB P27338 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP19A1 P11511 2/20 0.46
AR P10275 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL2396876 0.89 MAPT (0.51) DNMT3BNFKB1NFKB2RELAADORA3
SCHEMBL25201529 0.78 DNMT3B (0.52) DNMT3BNFKB1NFKB2RELAADORA3
Flavanone SCHEMBL5796766 0.78 AR (0.68) ADORA3MAOBKDM4ECYP19A1AR
SCHEMBL30300555 0.75 MAOB (0.50) DNMT3BADORA3MAOBKDM4ECYP19A1
SCHEMBL9056733 0.75 DNMT3B (0.56) DNMT3BNFKB1NFKB2RELAADORA3
SCHEMBL29356678 0.75 MAOB (0.50) DNMT3BADORA3MAOBKDM4ECYP19A1
SCHEMBL9056735 0.75 DNMT3B (0.56) DNMT3BNFKB1NFKB2RELAADORA3
SCHEMBL2009148 0.75 MAOB (0.50) DNMT3BADORA3MAOBKDM4ECYP19A1
SCHEMBL2009150 0.75 MAOB (0.50) DNMT3BADORA3MAOBKDM4ECYP19A1
SCHEMBL7190338 0.74 SIRT1 (0.42) DNMT3BMAOBKDM4ECYP19A1HSD17B10

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
EP-2665467-A2 FLAVONOL COMPOSITIONS Ono, Mitsunori (US) 2013-11-27 EP disclosed
WO-2012099930-A3 FLAVONOL COMPOSITIONS ONO MITSUNORI (US) 2012-11-15 WO disclosed
WO-2012099930-A2 FLAVONOL COMPOSITIONS ONO MITSUNORI (US) 2012-07-26 WO disclosed
US-20120183587-A1 FLAVONOL COMPOSITIONS LINES, THOMAS CHRISTIAN (CH) 2012-07-19 US disclosed
EP-1856085-A1 FLAVONOID COMPOUNDS AND USES THEREOF Howard Florey Institute of Experimental Physiology and Medicine (AU) 2007-11-21 EP disclosed
WO-2006094357-A1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2006-09-14 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 (1 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-20120183587-A1 FLAVONOL COMPOSITIONS CYP2F1, F3, TEAD3 DNMT3B 292/4885NFKB1 1515/4885NFKB2 1086/4885

“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.