SCHEMBL5084384

SCHEMBL5084384

COc1cc(C2Oc3cc(O)cc(O)c3CC2=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
MAPK14 Q16539 1/20 0.46
CYP3A4 P08684 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
CYP19A1 P11511 2/20 0.43
XDH P47989 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.43
KDM1A O60341 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL6509060 0.87 CYP1A1 (0.56) CYP3A4MAPTTP53CYP19A1XDH
SCHEMBL2319151 0.85 CYP19A1 (0.57) PTGS1MAPK14CYP3A4MAPTTP53
SCHEMBL28616927 0.83 RECQL (0.44) PTGS1CYP3A4MAPTCYP19A1CYP1A1
SCHEMBL7200862 0.81 CYP1A1 (0.54) PTGS1MAPK14CYP3A4MAPTTP53
SCHEMBL15544306 0.80 RECQL (0.56) PTGS1MAPK14CYP3A4MAPTHPGD
SCHEMBL28464161 0.80 CYP1A1 (0.53) CYP3A4MAPTTP53CYP19A1XDH
SCHEMBL8063267 0.78 GSK3B (0.49) CYP3A4MAPTTP53CYP19A1XDH
SCHEMBL3487578 0.78 CYP3A4 (0.52) PTGS1CYP3A4MAPTTP53CYP19A1
SCHEMBL349722 0.78 CYP3A4 (0.52) PTGS1CYP3A4MAPTTP53CYP19A1
SCHEMBL773768 0.78 CYP19A1 (0.47) CYP3A4MAPTTP53CYP19A1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890378-A FOXO1 activity-inhibiting composition 三得利控股株式会社 2019-06-14 CN disclosed
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE SUNTORY HOLDINGS LIMITED (JP) 2017-03-16 US 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
WO-2003057210-A1 COMPOSITIONS AND METHODS FOR INCREASING CELL PROLIFERATION COMPRISING A FLAVONOID KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-07-17 WO disclosed
US-20030125264-A1 Methods For Treating Wounds KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-03 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 PTGS1 2062/4885MAPK14 2483/4885CYP3A4 17/4885
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE NOX1, NFKBIA, NOX5 PTGS1 157/4885MAPK14 155/4885CYP3A4 1665/4885
US-20030125264-A1 Methods For Treating Wounds FGF2, MMP1, FIBP PTGS1 92/4885MAPK14 1024/4885CYP3A4 3010/4885

“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.