SCHEMBL3064489

SCHEMBL3064489

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
PPARG P37231 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 7/20 0.56
NPC1 O15118 1/20 0.46
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL1473746 0.88 MAPT (0.65) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL13100433 0.84 MEN1 (0.54) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL30511127 0.81 HIF1A (0.79) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL23523355 0.81 HIF1A (0.79) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL23564661 0.81 HIF1A (0.79) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL12255051 0.80 MEN1 (0.56) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL14156990 0.79 HIF1A (0.57) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL13090328 0.78 CYP3A4 (0.74) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL13090332 0.77 MEN1 (0.59) CYP3A4MAPTMEN1PPARGKMT2A
SCHEMBL16201608 0.77 MAPT (0.59) CYP3A4MAPTMEN1PPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743881-B1 Phenyl-benzyl-ketones RUANE MICHAEL (AU) 2010-12-22 EP disclosed
US-20100273891-A1 ISOFLAVONE METABOLITES Ruane, Michael (AU) 2010-10-28 US disclosed
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-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-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
US-20080125481-A1 ISOFLAVONE METABOLITES JOANNOU GEORGE EUSTACE 2008-05-29 US disclosed
EP-1743881-A1 Phenyl-benzyl-ketones G.J. Consultants Pty Ltd (AU) 2007-01-17 EP disclosed
EP-1189897-B1 ISOFLAVONE METABOLITES G J CONSULTANTS PTY LTD (AU) 2006-10-18 EP disclosed
US-7056952-B1 for example, 3'-hydroxy-dihydrodaidzein, 5-hydroxy-O-demethylangolesin; for treating hormone dependent conditions and other diseases and disorders; anticarcinogenic agents G.J. CONSULTANTS PTY. LTD. (AU) 2006-06-06 US disclosed
US-20050222248-A1 Isoflavone metabolites JOANNOU GEORGE E 2005-10-06 US disclosed
EP-1189897-A1 ISOFLAVONE METABOLITES G.J. Consultants Pty Ltd (AU) 2002-03-27 EP disclosed
WO-2000066576-A1 ISOFLAVONE METABOLITES G.J. CONSULTANTS PTY LTD (AU) 2000-11-09 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 (4 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-20050222248-A1 Isoflavone metabolites CYP19A1, ESR1, CYP21A2 CYP3A4 54/4885MAPT 4750/4885MEN1 338/4885
US-20100273891-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 CYP3A4 57/4885MAPT 4713/4885MEN1 351/4885
US-20090209655-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 CYP3A4 57/4885MAPT 4713/4885MEN1 351/4885
US-20080125481-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 CYP3A4 57/4885MAPT 4713/4885MEN1 351/4885

“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.