SCHEMBL21621457

SCHEMBL21621457

CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)O4)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.71
KDM4E B2RXH2 10/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 1/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.43
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL21621454 0.92 ADORA3 (0.60) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL21621458 0.91 ADORA3 (0.57) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL1664667 0.84 ADORA3 (1.00) ADORA3KDM4EMAPTRAB9AALDH1A1
Pentaacetylquercetin SCHEMBL4064499 0.81 ADORA3 (0.77) ADORA3KDM4EMAPTRAB9AALDH1A1
Kaempferol Tetraacetate SCHEMBL10379364 0.81 ADORA3 (0.84) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL23278846 0.78 ADORA3 (0.72) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL21819719 0.78 ADORA3 (0.72) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL20581611 0.78 ADORA3 (0.78) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL22710236 0.77 ADORA3 (0.42) ADORA3KDM4EMAPTRAB9AALDH1A1
SCHEMBL28377445 0.77 ADORA3 (0.77) ADORA3KDM4EMAPTRAB9AALDH1A1

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 4848/4885KDM4E 3213/4885MAPT 2100/4885

“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.