SCHEMBL5087396

SCHEMBL5087396

COc1ccc(C#CC(=O)c2cc(OC(C)C)c(OC)cc2OSCc2ccccc2)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ACACB O00763 2/20 0.38
PDE4B Q07343 4/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
HIF1A Q16665 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5087499 0.85 LMNA (0.44) LMNAACACBPDE4BMAPTSMN1; SMN2
SCHEMBL1534429 0.71 VCP (0.47) LMNAMAPTKMT2AMEN1NPSR1
SCHEMBL5091334 0.71 LMNA (0.40) LMNAACACBMAPTSMN1; SMN2HCRTR1
SCHEMBL5031027 0.69 PDE4B (0.44) ACACBPDE4BKMT2AMEN1PDE4A
SCHEMBL5091293 0.69 TUBB4A (0.52) PDE4B
SCHEMBL177172 0.67 AR (0.45) LMNAKMT2AMEN1NPSR1
SCHEMBL5026201 0.66 ACACB (0.39) LMNAACACBMAPTSMN1; SMN2KMT2A
SCHEMBL6426849 0.66 LMNA (0.36) LMNAACACBMAPTSMN1; SMN2HCRTR1
SCHEMBL2536982 0.65 CA12 (0.53) ACACBMAPTSMN1; SMN2GAAACHE
SCHEMBL7825894 0.65 NPC1 (0.64) SMN1; SMN2KMT2AMEN1

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 LMNA 1765/4885ACACB 382/4885PDE4B 2774/4885

“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.