SCHEMBL4157882

SCHEMBL4157882

CCCCCC(=O)Oc1cc2oc(-c3ccc(O)cc3O)c(OC(=O)CCCCC)c(=O)c2c(OC(=O)CCCCC)c1C(=O)CCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALOX5 P09917 10/20 0.40
ADORA3 P0DMS8 3/20 0.39
POLH Q9Y253 1/20 0.39
MPG P29372 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
POLB P06746 1/20 0.39
YES1 P07947 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.39
IAPP P10997 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL4168942 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4164234 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4163599 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4153248 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4161249 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4162126 0.99 ALOX5 (0.41) HTTALOX5ADORA3POLHMPG
SCHEMBL4175448 0.92 ADORA3 (0.41) ALOX5ADORA3POLHMPGKDM4E
SCHEMBL4157272 0.89 ABCB1 (0.46) ALOX5POLHKDM4EPOLBCYP3A4
SCHEMBL4158702 0.88 ALOX5 (0.46) ALOX5POLHKDM4EPOLBCYP3A4
SCHEMBL4152427 0.88 ALOX5 (0.46) ALOX5POLHKDM4EPOLBCYP3A4

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 HTT 1877/4885ALOX5 387/4885ADORA3 2776/4885

“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.