SCHEMBL3307526

SCHEMBL3307526

COc1c(O)ccc(O)c1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
KCNA3 P22001 2/20 0.51
CYP3A4 P08684 4/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 2/20 0.43
CA2 P00918 2/20 0.43
CA14 Q9ULX7 1/20 0.43
PRKCI P41743 1/20 0.43
CA13 Q8N1Q1 1/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.39

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
SCHEMBL3302610 0.86 CYP3A4 (0.49) THRBKCNA3CYP3A4MAPK1USP2
SCHEMBL4255276 0.84 ALDH1A1 (0.59) THRBKCNA3CYP3A4MAPK1USP2
SCHEMBL111734 0.83 TDP1 (0.50) THRBKCNA3CYP3A4MAPK1USP2
SCHEMBL13835746 0.83 KDM4E (0.52) CA9CA1CA12CA7CA2
SCHEMBL30803084 0.83 KDM4E (0.52) CA9CA1CA12CA7CA2
SCHEMBL6243537 0.81 CA1 (0.54) THRBKCNA3CYP3A4MAPK1USP2
SCHEMBL313564 0.79 CA1 (0.40) THRBKCNA3CYP3A4MAPK1USP2
SCHEMBL28436043 0.79 HMGCR (0.46) THRBKCNA3CYP3A4MAPK1PRKCI
SCHEMBL6451162 0.78 THRB (0.70) THRBCYP3A4MAPK1USP2SMN1; SMN2
SCHEMBL3258548 0.77 ALDH1A1 (0.53) KCNA3CYP3A4MAPK1SMN1; SMN2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
WO-2008076767-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2008-06-26 WO disclosed
WO-2008076767-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2008-06-26 WO disclosed
WO-2007070986-A1 FLAVONES ECOBIOTICS LIMITED (AU) 2007-06-28 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-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF NRAS, FAU, DPYD THRB 4699/4885KCNA3 4573/4885CYP3A4 46/4885

“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.