SCHEMBL21621458

SCHEMBL21621458

CC(=O)Oc1c(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(O)cc(OC(C)=O)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCB1 P08183 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SRC P12931 3/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 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
SCHEMBL21621457 0.91 ADORA3 (0.71) ADORA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL21621454 0.87 ADORA3 (0.60) ADORA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL28410849 0.84 ADORA3 (0.79) ADORA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL17620177 0.82 ABCB1 (0.68) KDM4EMEN1KMT2ACYP3A4HSD17B10
SCHEMBL17620272 0.80 POLH (0.66) ADORA3KDM4EMEN1KMT2ACYP3A4
SCHEMBL28415933 0.79 ADORA3 (0.70) ADORA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL17620220 0.78 POLH (0.60) ADORA3KDM4EMEN1KMT2ACYP3A4
SCHEMBL22710103 0.78 POLH (0.52) ADORA3KDM4EMEN1KMT2ACYP3A4
SCHEMBL17620269 0.78 POLH (0.52) ADORA3KDM4EMEN1KMT2ACYP3A4
SCHEMBL1160941 0.76 MEN1 (0.65) ADORA3KDM4EMEN1KMT2AALDH1A1

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 3213/4885MEN1 3920/4885

“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.