SCHEMBL4159685

SCHEMBL4159685

CCC(=O)Oc1cc2oc(-c3ccc(O)cc3)c(OC(=O)CC)c(=O)c2c(OC(=O)CC)c1C(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CYP3A4 P08684 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLH Q9Y253 2/20 0.47
CYP2D6 P10635 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
RPS6KA3 P51812 1/20 0.43
SRC P12931 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4153368 0.92 POLH (0.51) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4168940 0.88 ADORA3 (0.42) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4158975 0.88 ABCB1 (0.48) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4157272 0.85 ABCB1 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4152427 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4161767 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4158702 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4158689 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4163511 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E
SCHEMBL4164389 0.84 ALOX5 (0.46) ABCB1ABCG2CYP3A4POLBKDM4E

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 ABCB1 1605/4885ABCG2 102/4885CYP3A4 518/4885

“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.