SCHEMBL4131305

SCHEMBL4131305

COC(=O)CCCCC(=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
HDAC8 Q9BY41 1/20 0.46
HDAC1 Q13547 1/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CNR2 P34972 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 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
SCHEMBL4120097 0.98 PDE4D (0.50) PDE4DHDAC8HDAC1TSHRMAPT
SCHEMBL4133074 0.91 PDE4D (0.51) PDE4DTSHRMAPTTDP1PKM
SCHEMBL4126956 0.86 PDE4D (0.50) PDE4DHDAC8HDAC1MAPTTDP1
SCHEMBL4128743 0.84 PDE4B (0.51) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL4255074 0.83 PDE4D (0.53) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL4118586 0.80 HTT (0.53) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL11680967 0.80 PDE4D (0.52) PDE4DMAPTTDP1PKMALDH1A1
SCHEMBL27707962 0.78 HDAC8 (0.71) HDAC8HDAC1TSHRALDH1A1KMT2A
SCHEMBL3891073 0.78 HDAC8 (0.55) HDAC8HDAC1TSHRMAPTTDP1
SCHEMBL7267945 0.78 KMT2A (0.53) HDAC8HDAC1TSHRMAPTALDH1A1

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 1289/4885HDAC8 515/4885HDAC1 146/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 PDE4D 1289/4885HDAC8 515/4885HDAC1 146/4885

“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.