SCHEMBL4128743

SCHEMBL4128743

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
PDE4D Q08499 5/20 0.51
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.45
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42

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
SCHEMBL4126956 0.98 PDE4D (0.50) PDE4BPDE4DMAPTTDP1PKM
SCHEMBL4118586 0.92 HTT (0.53) PDE4DMAPTTDP1PKMHTT
SCHEMBL13957714 0.88 MAPT (0.51) PDE4BPDE4DMAPTTDP1HTT
SCHEMBL4255074 0.86 PDE4D (0.53) PDE4DMAPTTDP1PKMMAPK1
SCHEMBL4120097 0.86 PDE4D (0.50) PDE4DMAPTTDP1PKMMAPK1
SCHEMBL4131305 0.84 PDE4D (0.49) PDE4DMAPTTDP1PKMMAPK1
SCHEMBL11680967 0.82 PDE4D (0.52) PDE4DMAPTTDP1PKMHTT
SCHEMBL21168982 0.82 PKM (0.53) PDE4DMAPTTDP1PKMLMNA
SCHEMBL4133074 0.81 PDE4D (0.51) PDE4DMAPTTDP1PKMHTT
Succinic Acid SCHEMBL28257927 0.81 MAPT (0.50) PDE4DMAPTTDP1PKMHTT

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 10 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
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US disclosed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 WO disclosed
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 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 (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 PDE4B 1242/4885PDE4D 1289/4885MAPT 77/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 PDE4B 1242/4885PDE4D 1289/4885MAPT 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.