SCHEMBL4158975

SCHEMBL4158975

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
POLH Q9Y253 1/20 0.45
RPS6KA3 P51812 3/20 0.42
ACE2 Q9BYF1 2/20 0.41
SRC P12931 1/20 0.41
ALOX5 P09917 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL4157272 0.91 ABCB1 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4163511 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4164389 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4158689 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4161767 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4158702 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4152427 0.91 ALOX5 (0.46) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4175448 0.88 ADORA3 (0.41) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4159685 0.88 ABCB1 (0.50) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL4165750 0.83 POLH (0.47) ABCB1ABCG2POLBKDM4ECYP3A4

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 102/4885POLB 1813/4885

“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.