SCHEMBL4161561

SCHEMBL4161561

CC(=O)Oc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.65
KDM4E B2RXH2 4/20 0.65
ABCG2 Q9UNQ0 4/20 0.65
POLB P06746 3/20 0.65
APEX1 P27695 3/20 0.65
RECQL P46063 3/20 0.65
APP P05067 3/20 0.65
MEN1 O00255 3/20 0.65
MAPT P10636 3/20 0.65
KMT2A Q03164 3/20 0.65
HSD17B10 Q99714 3/20 0.65
MPG P29372 2/20 0.65
MCL1 Q07820 2/20 0.65
GAA P10253 2/20 0.65
BLM P54132 2/20 0.65
ALDH1A1 P00352 2/20 0.65
TP53 P04637 2/20 0.65
YES1 P07947 2/20 0.65
CYP2C9 P11712 2/20 0.65
HPGD P15428 2/20 0.65

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
SCHEMBL30627918 0.88 CYP3A4 (0.75) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4160544 0.88 CYP3A4 (0.75) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL30627917 0.88 CYP3A4 (0.75) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4170658 0.87 KDM4E (0.61) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4166913 0.85 KDM4E (0.58) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4157325 0.84 ABCB1 (0.76) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4163598 0.84 KDM4E (0.47) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL31236662 0.83 POLH (0.76) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4175201 0.83 POLH (0.76) CYP3A4KDM4EABCG2POLBAPEX1
SCHEMBL4155155 0.82 KDM4E (0.55) CYP3A4KDM4EABCG2POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US claimed

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 CYP3A4 518/4885KDM4E 4144/4885ABCG2 102/4885

“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.