SCHEMBL4147955

SCHEMBL4147955

COc1cc(OC)c2c(=O)c(O)c(-c3cccc(OC)c3OC)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.67
KDM4E B2RXH2 3/20 0.64
CYP3A4 P08684 3/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
TP53 P04637 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
ADORA3 P0DMS8 5/20 0.60
ABCB1 P08183 3/20 0.60
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
MAOA P21397 5/20 0.56
MEN1 O00255 2/20 0.56
ABCC1 P33527 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
DPP4 P27487 1/20 0.54

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
SCHEMBL9622260 0.87 KDM4E (0.69) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL4649997 0.83 ABCG2 (0.64) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL20981375 0.83 ABCG2 (0.77) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL16894641 0.83 ABCG2 (0.69) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL30343500 0.83 ABCG2 (0.77) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL16894653 0.81 ADORA3 (0.79) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL30037114 0.81 ADORA3 (0.79) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL28536757 0.81 ABCG2 (0.83) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL38650680 0.81 ABCG2 (0.83) ABCG2KDM4ECYP3A4LMNAMAPT
SCHEMBL4649234 0.81 KDM4E (0.62) ABCG2KDM4ECYP3A4LMNAMAPT

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-20090149530-A1 Antiinfective Flavonol Compounds and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2009-06-11 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 1910/4885KDM4E 3807/4885CYP3A4 791/4885

“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.