SCHEMBL2396876

SCHEMBL2396876

O=C1c2ccccc2OC(c2ccc(O)cc2)C1(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
DNMT3B Q9UBC3 6/20 0.47
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 2/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5313705 0.89 DNMT3B (0.57) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL23752214 0.85 CYP19A1 (0.51) CYP3A4KDM4EKMT2AMEN1ESR1
SCHEMBL29099781 0.80 ESR2 (0.33) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL30641816 0.77 CYP19A1 (0.58) MAPTADORA3CYP3A4ALDH1A1LMNA
Flavanone SCHEMBL5796766 0.77 AR (0.68) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL2009150 0.75 MAOB (0.50) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL30300555 0.75 MAOB (0.50) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL2009148 0.75 MAOB (0.50) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL29356678 0.75 MAOB (0.50) MAPTADORA3NPC1CYP3A4MAPK1
SCHEMBL6068882 0.74 CYP3A4 (0.53) MAPTCYP3A4MAPK1KDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017649-B2 Flavonoid compounds and uses thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2011-09-13 US disclosed
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 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 (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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 MAPT 3887/4885ADORA3 2776/4885NPC1 2686/4885

“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.