Combretastatin

Combretastatin

SCHEMBL3756295

CCOOP(=O)([O-])[O-].COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O.[Na+].[Na+]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 known ✓ Q9H4B7 9/20 0.70
TUBB4A known ✓ P04350 8/20 0.70
TUBB known ✓ P07437 8/20 0.70
TUBA3C known ✓ P0DPH7 8/20 0.70
TUBA1B known ✓ P68363 8/20 0.70
TUBA4A known ✓ P68366 8/20 0.70
TUBB4B known ✓ P68371 8/20 0.70
TUBB3 known ✓ Q13509 8/20 0.70
TUBB2A known ✓ Q13885 8/20 0.70
TUBB8 known ✓ Q3ZCM7 8/20 0.70
TUBA3E known ✓ Q6PEY2 8/20 0.70
TUBA1A known ✓ Q71U36 8/20 0.70
TUBA1C known ✓ Q9BQE3 8/20 0.70
TUBB6 known ✓ Q9BUF5 8/20 0.70
TUBB2B known ✓ Q9BVA1 8/20 0.70
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 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
Combretastatin SCHEMBL3746076 0.90 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL19956 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL19955 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL30334938 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL29394501 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL29356562 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL5566666 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL4408635 0.83 TUBB1 (0.87) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL6429578 0.83 TUBB1 (0.97) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL6430650 0.83 TUBB1 (0.97) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065358-B1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2015-07-08 EP disclosed
US-7838706-B2 Preparation and the use of ethoxy combretastatins and their prodrugs ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2010-11-23 US disclosed
US-20090170956-A1 PREPARATION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2009-07-02 US disclosed
EP-2065358-A1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-06-03 EP 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-20090170956-A1 PREPARATION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS PHOSPHO1, TUBB3, TYMP TUBB1 5/4885TUBB4A 10/4885TUBB 4/4885

“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.