SCHEMBL9239062

SCHEMBL9239062

COc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.75
TUBB P07437 4/20 0.75
TUBA3C P0DPH7 4/20 0.75
TUBA1B P68363 4/20 0.75
TUBA4A P68366 4/20 0.75
TUBB4B P68371 4/20 0.75
TUBB3 Q13509 4/20 0.75
TUBB2A Q13885 4/20 0.75
TUBB8 Q3ZCM7 4/20 0.75
TUBA3E Q6PEY2 4/20 0.75
TUBA1A Q71U36 4/20 0.75
TUBA1C Q9BQE3 4/20 0.75
TUBB6 Q9BUF5 4/20 0.75
TUBB2B Q9BVA1 4/20 0.75
TUBB1 Q9H4B7 4/20 0.75
NQO2 P16083 3/20 0.67
NQO1 P15559 1/20 0.67
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58

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
SCHEMBL19112243 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8397007 0.91 NQO2 (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8397009 0.91 NQO2 (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12507433 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4996875 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4996892 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4994326 0.89 ESR1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8398858 0.89 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4996750 0.89 ESR1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8398862 0.89 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-10239844-B2 Disubstituted triazole analogs BIOVENTURES, LLC (US) 2019-03-26 US disclosed
US-20180186756-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2018-07-05 US disclosed
US-9938246-B2 Disubstituted triazole analogs BIOVENTURES, LLC (US) 2018-04-10 US disclosed
EP-3125886-A1 DISUBSTITUTED TRIAZOLE ANALOGS Board of Trustees of the University of Arkansas (US) 2017-02-08 EP disclosed
US-20170015635-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2017-01-19 US disclosed
WO-2015153635-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-10-08 WO disclosed
EP-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 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 (3 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-20170015635-A1 DISUBSTITUTED TRIAZOLE ANALOGS MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885
US-10239844-B2 Disubstituted triazole analogs MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885
US-20180186756-A1 DISUBSTITUTED TRIAZOLE ANALOGS MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885

“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.