SCHEMBL3302610

SCHEMBL3302610

COc1ccc(O)c(C(C)=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNA3 P22001 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 2/20 0.44
CA9 Q16790 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44

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
SCHEMBL3307526 0.86 THRB (0.52) CYP3A4MAPK1USP2SMN1; SMN2KCNA3
SCHEMBL10497869 0.86 CA9 (0.51) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL29429335 0.82 CYP3A4 (0.55) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL3193234 0.82 CYP3A4 (0.55) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL11385144 0.81 TDP1 (0.50) MAPTSMN1; SMN2TDP1HTTCA9
SCHEMBL14795733 0.81 CYP3A4 (0.53) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL4255276 0.79 ALDH1A1 (0.59) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL4261690 0.79 MAPK1 (0.47) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL339501 0.79 TUBB1 (0.45) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL21623579 0.78 KDM4E (0.55) CYP3A4MAPK1MAPTUSP2SMN1; SMN2

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 CYP3A4 46/4885MAPK1 1286/4885MAPT 1962/4885

“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.