Combretastatin A4

Combretastatin A4

SCHEMBL5073658

COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O.O=P(O)(O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Combretastatin A4. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 14/20 0.88
TUBB4A P04350 6/20 0.88
TUBB P07437 6/20 0.88
TUBA3C P0DPH7 6/20 0.88
TUBA1B P68363 6/20 0.88
TUBA4A P68366 6/20 0.88
TUBB4B P68371 6/20 0.88
TUBB3 Q13509 6/20 0.88
TUBB2A Q13885 6/20 0.88
TUBB8 Q3ZCM7 6/20 0.88
TUBA3E Q6PEY2 6/20 0.88
TUBA1A Q71U36 6/20 0.88
TUBA1C Q9BQE3 6/20 0.88
TUBB6 Q9BUF5 6/20 0.88
TUBB2B Q9BVA1 6/20 0.88
SLC22A2 O15244 1/20 0.88
SLCO2B1 O94956 1/20 0.88
ABCB1 P08183 1/20 0.88
SLC22A6 Q4U2R8 1/20 0.88
SLC22A8 Q8TCC7 1/20 0.88

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
Combretastatin A4 SCHEMBL29501750 0.94 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL18945 0.94 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
E-Combretastatin A-4 SCHEMBL9707931 0.94 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL29355902 0.94 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL18946 0.94 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL4452799 0.92 TUBB1 (0.97) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Phosphoric Acid SCHEMBL5071914 0.91 TUBB1 (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL6456251 0.89 TUBB1 (0.91) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13813246 0.89 TUBB1 (0.90) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin A4 SCHEMBL8188814 0.87 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45907-E1 Functionalized stilbene derivatives as improved vascular targeting agents OXIGENE, INC. (US) 2016-03-01 US disclosed
US-7384925-B2 2' Hydroxy-3'-bromo-3,4,4',5-tetramethoxy-(Z)-stilbene; antimitotic agent; inhibits the assembly of tubulin into microtubules; anticarcinogenic: solid tumor cancers, neovascularization; tubulin-binding stilbenoid analogs structurally related to combretastatin A-1 and A-4 (extract from willow tree) OXIGENE, INC. (US) 2008-06-10 US disclosed
EP-1438281-A4 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS OXIGENE INC (US) 2006-04-26 EP disclosed
US-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents MATEON THERAPEUTICS, INC. 2006-02-16 US disclosed
US-6919324-B2 For therapy of solid tumor cancers and other diseases associated with unwanted neovascularization OXIGENE, INC. (US) 2005-07-19 US disclosed
EP-1438281-A2 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS Oxigene, Inc. (US) 2004-07-21 EP disclosed
US-20030149003-A1 Functionalized stilbene derivatives as improved vascular targeting agents MATEON THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003035008-A2 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS OXIGENE, INC. (US) 2003-05-01 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-20030149003-A1 Functionalized stilbene derivatives as improved vascular targeting agents FLT1, FLT4, KDR TUBB1 9/4885TUBB4A 6/4885TUBB 17/4885
US-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents FLT1, FLT4, KDR TUBB1 9/4885TUBB4A 6/4885TUBB 17/4885

“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.