SCHEMBL4158702

SCHEMBL4158702

CCCCCCC(=O)Oc1cc2oc(-c3ccc(O)cc3)c(OC(=O)CCCCCC)c(=O)c2c(OC(=O)CCCCCC)c1C(=O)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
POLH Q9Y253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
TOP2A P11388 1/20 0.41
FAAH O00519 2/20 0.40
CNR1 P21554 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
SCHEMBL4158689 1.00 ALOX5 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4163511 1.00 ALOX5 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4164389 1.00 ALOX5 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4161767 1.00 ALOX5 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4152427 1.00 ALOX5 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4157272 0.99 ABCB1 (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4152386 0.93 POLH (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4165827 0.93 POLH (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4157369 0.93 POLH (0.46) ALOX5ABCB1ABCG2POLHKDM4E
SCHEMBL4165750 0.92 POLH (0.47) ALOX5ABCB1ABCG2POLHKDM4E

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 ALOX5 387/4885ABCB1 1605/4885ABCG2 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.