SCHEMBL5031027

SCHEMBL5031027

COc1ccc(C#CC(=O)Cl)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.44
ACACB O00763 3/20 0.43
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
RORC P51449 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL5091293 0.80 TUBB4A (0.52) PDE4BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7353148 0.75 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DTUBB4A
SCHEMBL5027104 0.74 PDE4B (0.40) PDE4BACACBPDE4APDE4CPDE4D
SCHEMBL10195839 0.74 AR (0.51) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL2536982 0.74 CA12 (0.53) ACACBCYP1A2CYP2C19CYP3A4CYP2C9
Lithium Ion SCHEMBL5028977 0.73 PDE4B (0.39) PDE4BACACBPDE4APDE4CPDE4D
SCHEMBL8195252 0.73 ACACB (0.50) ACACBCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL3941664 0.72 ACACB (0.42) PDE4BACACBPDE4APDE4CPDE4D
SCHEMBL3662959 0.71 ALDH1A1 (0.43) PDE4BACACBCYP1A2CYP2C19CYP2C9
SCHEMBL3941652 0.71 ACACB (0.44) PDE4BACACBPDE4APDE4CPDE4D

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-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 PDE4B 2774/4885ACACB 382/4885PDE4A 2976/4885

“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.