SCHEMBL6129277

SCHEMBL6129277

CO/C(=C/c1ccc(OC)c(O)c1)C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 18/20 1.00
▸ TUBB4A P04350 10/20 0.76
▸ TUBB P07437 10/20 0.76
▸ TUBA3C P0DPH7 10/20 0.76
▸ TUBA1B P68363 10/20 0.76
▸ TUBA4A P68366 10/20 0.76
▸ TUBB4B P68371 10/20 0.76
▸ TUBB3 Q13509 10/20 0.76
▸ TUBB2A Q13885 10/20 0.76
▸ TUBB8 Q3ZCM7 10/20 0.76
▸ TUBA3E Q6PEY2 10/20 0.76
▸ TUBA1A Q71U36 10/20 0.76
▸ TUBA1C Q9BQE3 10/20 0.76
▸ TUBB6 Q9BUF5 10/20 0.76
▸ TUBB2B Q9BVA1 10/20 0.76
▸ BACE1 P56817 1/20 0.57
▸ SLC22A2 O15244 1/20 0.57
▸ SLCO2B1 O94956 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57

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
SCHEMBL6129276 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129147 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129120 0.85 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15675107 0.81 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5700860 0.81 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5608201 0.80 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29778095 0.79 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29778080 0.79 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129100 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032788 0.77 TUBB1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity LAWRENCE NICHOLAS JAMES (GB) 2005-03-24 — — US 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-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity AURKA, AURKB, HDAC4 TUBB1 567/4885TUBB4A 61/4885TUBB 472/4885

“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.

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