SCHEMBL4129050

SCHEMBL4129050

COc1ccc(C2Oc3c(c(O)c(OC)c(OC)c3OC)CC2=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
XDH P47989 1/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.41
ACHE P22303 4/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK3 P27361 1/20 0.38
THRB P10828 1/20 0.38
TAS2R31 P59538 1/20 0.37

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
SCHEMBL28085134 0.90 CDK1 (0.45) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29270987 0.84 CDK1 (0.44) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL11121382 0.84 CDK1 (0.47) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL8066879 0.83 GSK3B (0.46) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL2124063 0.79 TUBB4A (0.47) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL8064381 0.78 CDK1 (0.45) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29186041 0.77 CDK1 (0.44) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL27775950 0.77 ALDH1A1 (0.35) MAPTALDH1A1ACHEKDM4EGAA
SCHEMBL382209 0.77 TUBB4A (0.47) GSK3BXDHMAPTMAPK1CYP3A4
SCHEMBL8063267 0.76 GSK3B (0.49) CDK1CCNB1GSK3AGSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions WLLGEN, INC. (US) 2014-02-06 US claimed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 US claimed
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions WLLGEN, INC. (US) 2014-02-06 US disclosed
EP-2010194-A2 HYDROXYLATED POLYMETHOXYFLAVONE COMPOSITIONS Rutgers, The State University of New Jersey (US) 2009-01-07 EP disclosed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 US disclosed
WO-2007109071-A2 HYDROXYLATED POLYMETHOXYFLAVONE COMPOSITIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-27 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 (2 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-20070275106-A1 Hydroxylated polymethoxyflavone compositions PLIN5, FANCF, COXFA4 CDK1 3527/4885CCNB1 1441/4885GSK3A 2528/4885
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions PLIN5, FANCF, COXFA4 CDK1 3527/4885CCNB1 1441/4885GSK3A 2528/4885

“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.