SCHEMBL4163598

SCHEMBL4163598

CC(=O)Oc1cc2oc(-c3ccc(O)cc3O)c(OC(C)=O)c(=O)c2c(OC(C)=O)c1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 1/20 0.47
ADORA3 P0DMS8 4/20 0.47
ABCG2 Q9UNQ0 3/20 0.45
APEX1 P27695 3/20 0.45
RECQL P46063 3/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
MPG P29372 2/20 0.45
MCL1 Q07820 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
BLM P54132 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL4156024 0.87 ADORA3 (0.56) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4161561 0.84 CYP3A4 (0.65) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4168940 0.79 ADORA3 (0.42) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4173907 0.79 CYP3A4 (0.54) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4175448 0.78 ADORA3 (0.41) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4157882 0.76 HTT (0.40) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4153248 0.75 ALOX5 (0.41) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4161249 0.75 ALOX5 (0.41) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4162126 0.75 ALOX5 (0.41) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4164234 0.75 ALOX5 (0.41) KDM4EMEN1KMT2ACYP3A4ALDH1A1

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 KDM4E 4144/4885MEN1 4830/4885KMT2A 4797/4885

“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.