SCHEMBL4579260

SCHEMBL4579260

COC(=O)Cc1ccc(C#CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HSP90AB1 P08238 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7042002 0.87 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL7042008 0.85 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL3686971 0.84 ADRB2 (0.48) CYP4F2CYP4A11MMP2MMP12FFAR1
SCHEMBL15586040 0.84 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL10941221 0.82 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL13433610 0.82 FFAR1 (0.43) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL290277 0.81 SLC7A5 (0.48) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL8825194 0.81 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL4113212 0.80 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL4578847 0.79 FFAR1 (0.63) CYP4F2CYP4A11ALDH1A1HTTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 CYP4F2 3704/4885CYP4A11 2135/4885ALDH1A1 521/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 CYP4F2 3704/4885CYP4A11 2135/4885ALDH1A1 521/4885

“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.