SCHEMBL4175448

SCHEMBL4175448

CCCC(=O)Oc1cc2oc(-c3ccc(O)cc3O)c(OC(=O)CCC)c(=O)c2c(OC(=O)CCC)c1C(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
MPG P29372 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
APEX1 P27695 2/20 0.41
RECQL P46063 2/20 0.41
MCL1 Q07820 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
APP P05067 1/20 0.41
YES1 P07947 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSPD1 P10809 1/20 0.41
IAPP P10997 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4157882 0.92 HTT (0.40) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4164234 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4163599 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4153248 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4161249 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4162126 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4168942 0.91 ALOX5 (0.41) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4158975 0.88 ABCB1 (0.48) ABCG2KDM4EPOLBCYP3A4APEX1
SCHEMBL4168940 0.88 ADORA3 (0.42) ADORA3ABCG2MPGKDM4EPOLB
SCHEMBL4166913 0.85 KDM4E (0.58) ADORA3ABCG2MPGKDM4EPOLB

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 ADORA3 2776/4885ABCG2 102/4885MPG 1991/4885

“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.