SCHEMBL4160334

SCHEMBL4160334

COc1cc(C=CC(=O)c2c(O)cc(OC)cc2OC)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 1.00
NFKB1 P19838 1/20 0.80
DPP4 P27487 1/20 0.80
NFKB2 Q00653 1/20 0.80
RELA Q04206 1/20 0.80
CYP3A4 P08684 6/20 0.78
MAPT P10636 5/20 0.78
KMT2A Q03164 4/20 0.78
TP53 P04637 2/20 0.78
ATM Q13315 1/20 0.78
HSD17B10 Q99714 1/20 0.78
MEN1 O00255 3/20 0.76
TDP1 Q9NUW8 3/20 0.76
KDM4E B2RXH2 2/20 0.76
HPGD P15428 2/20 0.76
USP2 O75604 2/20 0.76
MAPK1 P28482 2/20 0.76
MCL1 Q07820 1/20 0.76
ALDH1A1 P00352 1/20 0.76
ALOX15 P16050 1/20 0.76

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
SCHEMBL10847648 1.00 ABCG2 (1.00) ABCG2NFKB1DPP4NFKB2RELA
SCHEMBL30545313 0.90 ABCG2 (0.82) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain C SCHEMBL144230 0.89 NFKB1 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain A SCHEMBL2289181 0.89 ABCG2 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain A SCHEMBL29349587 0.89 ABCG2 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain C SCHEMBL25201341 0.89 NFKB1 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain A SCHEMBL25209870 0.89 ABCG2 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain A SCHEMBL2289188 0.89 ABCG2 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain C SCHEMBL30384247 0.89 NFKB1 (1.00) ABCG2NFKB1DPP4NFKB2RELA
Flavokawain C SCHEMBL144231 0.89 NFKB1 (1.00) ABCG2NFKB1DPP4NFKB2RELA

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-20090149530-A1 Antiinfective Flavonol Compounds and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2009-06-11 US disclosed
US-4605674-A VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US 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-20090149530-A1 Antiinfective Flavonol Compounds and Methods of Use Thereof MPO, MIF, VIP ABCG2 1910/4885NFKB1 523/4885DPP4 582/4885

“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.