SCHEMBL5084282

SCHEMBL5084282

COc1cc(O)c2c(c1)C(=O)C[C@@H](c1ccccc1)O2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.68
AR P10275 2/20 0.63
ABCB1 P08183 2/20 0.63
CYP19A1 P11511 8/20 0.60
MAOB P27338 3/20 0.60
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
PABPC1 P11940 1/20 0.58
APEX1 P27695 1/20 0.58
RECQL P46063 1/20 0.58
KMT2A Q03164 1/20 0.58
EIF4H Q15056 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL773767 0.92 CYP19A1 (0.66) ABCG2ARABCB1CYP19A1MAOB
SCHEMBL7200859 0.86 CYP1A1 (0.67) ABCG2CYP19A1MAOBMAPTALDH1A1
SCHEMBL17318042 0.86 CYP1A1 (0.67) ABCG2CYP19A1MAOBMAPTALDH1A1
SCHEMBL2879029 0.86 ABCG2 (0.67) ABCG2ARABCB1CYP19A1MAOB
SCHEMBL1508800 0.85 CYP19A1 (0.64) ABCG2ARCYP19A1MAOBMAPT
SCHEMBL5085606 0.82 CYP19A1 (0.63) ABCG2CYP19A1MAOBMAPTMEN1
SCHEMBL3364494 0.82 MEN1 (0.65) ABCG2ARABCB1CYP19A1MAOB
Pinostrobin SCHEMBL1485747 0.81 ABCG2 (1.00) ABCG2ABCB1CYP19A1MAOBMAPT
Pinostrobin SCHEMBL31264673 0.81 ABCG2 (1.00) ABCG2ABCB1CYP19A1MAOBMAPT
Pinostrobin SCHEMBL7648566 0.81 ABCG2 (1.00) ABCG2ABCB1CYP19A1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534644-A Preparation method of alpinetin 深圳创元生物医药科技有限公司 2024-02-09 CN disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ABCG2 5/4885AR 152/4885ABCB1 59/4885

“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.