SCHEMBL4126956

SCHEMBL4126956

COc1ccc(C(=O)CCCCC(=O)O)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.50
PDE4B Q07343 1/20 0.50
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4128743 0.98 PDE4B (0.51) PDE4DPDE4BMAPTTDP1MAPK1
SCHEMBL4118586 0.90 HTT (0.53) PDE4DMAPTTDP1MAPK1SMN1; SMN2
SCHEMBL4131305 0.86 PDE4D (0.49) PDE4DMAPTTDP1MAPK1SMN1; SMN2
SCHEMBL13957714 0.86 MAPT (0.51) PDE4DPDE4BMAPTTDP1MAPK1
SCHEMBL4255074 0.84 PDE4D (0.53) PDE4DMAPTTDP1MAPK1SMN1; SMN2
SCHEMBL4120097 0.84 PDE4D (0.50) PDE4DMAPTTDP1MAPK1SMN1; SMN2
SCHEMBL11680967 0.81 PDE4D (0.52) PDE4DMAPTTDP1MAPK1SMN1; SMN2
SCHEMBL21168982 0.81 PKM (0.53) PDE4DMAPTTDP1POLBPKM
SCHEMBL4133074 0.79 PDE4D (0.51) PDE4DMAPTTDP1MAPK1SMN1; SMN2
Succinic Acid SCHEMBL28257927 0.79 MAPT (0.50) PDE4DMAPTTDP1MAPK1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US 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 (2 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-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 PDE4D 1289/4885PDE4B 1242/4885MAPT 77/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 PDE4D 1289/4885PDE4B 1242/4885MAPT 77/4885

“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.