SCHEMBL21621459

SCHEMBL21621459

CC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(OC(C)C)cc(OC(C)=O)c2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.61
PLG P00747 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
POLH Q9Y253 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
MMP1 P03956 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL21621477 0.87 POLH (0.57) PLGNOX4KDM4EMEN1KMT2A
SCHEMBL21621454 0.81 ADORA3 (0.60) ADORA3KDM4EMEN1KMT2AHSD17B10
SCHEMBL23512212 0.80 ADORA3 (0.67) ADORA3KDM4EMEN1KMT2AHSD17B10
Pentaacetylquercetin SCHEMBL4064499 0.80 ADORA3 (0.77) ADORA3KDM4EMEN1KMT2AHSD17B10
Kaempferol Tetraacetate SCHEMBL10379364 0.80 ADORA3 (0.84) ADORA3KDM4EMEN1KMT2AHSD17B10
SCHEMBL31236662 0.79 POLH (0.76) ADORA3PLGNOX4KDM4EMEN1
SCHEMBL4175201 0.79 POLH (0.76) ADORA3PLGNOX4KDM4EMEN1
SCHEMBL23278846 0.77 ADORA3 (0.72) ADORA3KDM4EMEN1KMT2AHSD17B10
SCHEMBL1664667 0.76 ADORA3 (1.00) ADORA3KDM4EMEN1KMT2AHSD17B10
SCHEMBL28041625 0.76 POLH (0.76) ADORA3PLGNOX4KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139447-A1 Lipophenolic Flavonoid Derivatives Useful To Reduce Carbonyl And Oxidative Stresses (COS) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-05-13 US disclosed
WO-2020012003-A1 LIPOPHENOLIC FLAVONOID DERIVATIVES USEFUL TO REDUCE CARBONYL AND OXIDATIVE STRESSES (COS) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-01-16 WO disclosed

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-20210139447-A1 Lipophenolic Flavonoid Derivatives Useful To Reduce Carbonyl And Oxidative Stresses (COS) LPO, NQO1, CAT ADORA3 4848/4885PLG 4136/4885NOX4 124/4885

“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.