SCHEMBL4156001

SCHEMBL4156001

CCC(=O)Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 6/20 0.70
CYP3A4 P08684 4/20 0.70
CYP2D6 P10635 4/20 0.70
KDM4E B2RXH2 3/20 0.70
POLB P06746 2/20 0.70
APEX1 P27695 2/20 0.70
RECQL P46063 2/20 0.70
MCL1 Q07820 1/20 0.70
RPS6KA3 P51812 5/20 0.60
ABCB1 P08183 2/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CA12 O43570 2/20 0.60
CA2 P00918 2/20 0.60
AKR1B1 P15121 2/20 0.60
ACHE P22303 2/20 0.60
CA7 P43166 2/20 0.60
SLCO2B1 O94956 1/20 0.60

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
SCHEMBL4159721 0.92 ABCB1 (0.71) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4157811 0.91 POLH (0.67) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4170634 0.91 POLH (0.74) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4170658 0.88 KDM4E (0.61) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4164863 0.88 POLH (0.64) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4156059 0.87 POLH (0.62) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4157686 0.87 POLH (0.62) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4167868 0.87 POLH (0.62) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4162160 0.87 POLH (0.62) POLHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL4155950 0.87 POLH (0.62) POLHCYP3A4CYP2D6KDM4EPOLB

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 POLH 3392/4885CYP3A4 518/4885CYP2D6 297/4885

“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.