SCHEMBL1997707

SCHEMBL1997707

COc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
NPC1 O15118 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38

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
SCHEMBL2017807 0.81 ESR1 (0.43) HTR7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22773172 0.80 HTR7 (0.37) HTR7ACHEMAPK3MAPK1ESR1
SCHEMBL20695904 0.80 HTR7 (0.37) HTR7ACHEMAPK3MAPK1ESR1
SCHEMBL19423013 0.80 HTR7 (0.37) HTR7ACHEMAPK3MAPK1ESR1
SCHEMBL30479084 0.80 HTR7 (0.37) HTR7ACHEMAPK3MAPK1ESR1
SCHEMBL20695860 0.78 TUBB4A (0.53) HTR7NPC1TUBB4ATUBBTUBA3C
SCHEMBL19423102 0.78 TUBB4A (0.53) HTR7NPC1TUBB4ATUBBTUBA3C
SCHEMBL1995264 0.77 TUBB4A (0.54) HTR7NPC1TUBB4ATUBBTUBA3C
SCHEMBL24167886 0.76 PDE4B (0.54) HTR7PDE4APDE4BPDE4CPDE4D
SCHEMBL20707986 0.76 PDE4B (0.54) HTR7PDE4APDE4BPDE4CPDE4D

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
US-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2012-12-06 US disclosed
EP-2513051-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2012-10-24 EP disclosed
EP-2338877-A1 Combretastatin Derivatives and Uses Therefor The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-29 EP disclosed
WO-2011073211-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2011-06-23 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-20120309734-A1 COMBRETASTATIN DERIVATIVES AND USES THEREFOR CASP4, CA4, ACSL4 HTR7 3424/4885NPC1 1791/4885TUBB4A 157/4885

“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.