SCHEMBL5087499

SCHEMBL5087499

COc1ccc(C#CC(=O)c2cc(OC(C)C)c(OC)cc2SCc2ccccc2)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ACACB O00763 2/20 0.39
PDE4B Q07343 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HCRTR1 O43613 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PDE4A P27815 2/20 0.35

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
SCHEMBL5087396 0.85 LMNA (0.43) LMNAACACBPDE4BSMN1; SMN2MAPT
SCHEMBL5091334 0.79 LMNA (0.40) LMNAACACBSMN1; SMN2MAPTHCRTR1
SCHEMBL5026201 0.75 ACACB (0.39) LMNAACACBSMN1; SMN2MAPTALDH1A1
SCHEMBL6426849 0.73 LMNA (0.36) LMNAACACBSMN1; SMN2MAPTHCRTR1
SCHEMBL5088178 0.72 LMNA (0.41) LMNASMN1; SMN2MAPTALDH1A1TAS1R3
SCHEMBL5031027 0.70 PDE4B (0.44) ACACBPDE4BALDH1A1PDE4APDE4C
SCHEMBL5091293 0.69 TUBB4A (0.52) PDE4B
SCHEMBL1534429 0.67 VCP (0.47) LMNAMAPTALDH1A1MEN1POLB
SCHEMBL2536982 0.66 CA12 (0.53) ACACBSMN1; SMN2MAPTCA12CA1
SCHEMBL31172708 0.65 RAB9A (0.46) LMNASMN1; SMN2MAPTALDH1A1MEN1

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.