SCHEMBL4126801

SCHEMBL4126801

COc1cc(C2(O)CCCc3c(ccc(OC)c3OC(C)C)C2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31

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
SCHEMBL4139934 0.76 KDM1A (0.43) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4127686 0.76 ADRA1A (0.39) MAPTMEN1KMT2ALMNA
SCHEMBL4134322 0.68 ALDH1A1 (0.38) MEN1KMT2ALMNATUBB4ATUBB
SCHEMBL6112924 0.68 MAPT (0.45) MAPTMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL11624186 0.68 KDM4E (0.35) CYP3A4
SCHEMBL28893222 0.67 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL4127426 0.66 PTGS2 (0.39) MAPTMEN1KMT2A
SCHEMBL11626560 0.66 ALDH1A1 (0.49) MEN1KMT2ACYP3A4LMNATUBB4A
SCHEMBL8960045 0.66 KDM4E (0.49) MEN1KMT2ACYP3A4LMNA
SCHEMBL22560181 0.64 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1CYP3A4

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
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US disclosed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 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 (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-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 MAPT 77/4885MEN1 1257/4885KMT2A 4341/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 MAPT 77/4885MEN1 1257/4885KMT2A 4341/4885

“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.