SCHEMBL13100433

SCHEMBL13100433

COc1ccc(C(C)C(=O)c2cc(CO)c(CO)cc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
PPARG P37231 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 6/20 0.51
GPR88 Q9GZN0 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
APP P05067 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3064489 0.84 CYP3A4 (0.61) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL12255051 0.83 MEN1 (0.56) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL1473746 0.81 MAPT (0.65) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL12536643 0.79 KMT2A (0.55) MEN1MAPTKMT2ATP53NPC1
SCHEMBL14628591 0.75 SMN1; SMN2 (0.59) MEN1CYP3A4KMT2AHIF1ATP53
SCHEMBL13100252 0.74 NPC1 (0.49) MEN1CYP3A4MAPTKMT2ANPC1
SCHEMBL14156990 0.73 HIF1A (0.57) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL13090328 0.73 CYP3A4 (0.74) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL23564661 0.72 HIF1A (0.79) MEN1CYP3A4MAPTPPARGKMT2A
SCHEMBL23523355 0.72 HIF1A (0.79) MEN1CYP3A4MAPTPPARGKMT2A

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
US-20100273891-A1 ISOFLAVONE METABOLITES Ruane, Michael (AU) 2010-10-28 US disclosed
US-7799955-B2 Isoflavone metabolites Ruane, Michael (AU) 2010-09-21 US disclosed
US-20090209655-A1 ISOFLAVONE METABOLITES G. J. CONSULTANTS PTY. LTD. (AU) 2009-08-20 US disclosed
US-20080125481-A1 ISOFLAVONE METABOLITES JOANNOU GEORGE EUSTACE 2008-05-29 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 (3 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-20100273891-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 MEN1 351/4885CYP3A4 57/4885MAPT 4713/4885
US-20090209655-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 MEN1 351/4885CYP3A4 57/4885MAPT 4713/4885
US-20080125481-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 MEN1 351/4885CYP3A4 57/4885MAPT 4713/4885

“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.