SCHEMBL4579790

SCHEMBL4579790

COC(=O)Cc1ccc(CCC=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 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
Acetic Acid SCHEMBL15522605 0.95 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL12676811 0.90 CYP4A11 (0.62) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL290033 0.83 SLC7A5 (0.54) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL27864655 0.83 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL11493064 0.81 CYP4A11 (0.75) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL15586041 0.81 CYP4A11 (0.75) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL8142270 0.79 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL9332759 0.79 CYP4A11 (1.00) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL12396464 0.79 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1GAAGFER

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 17 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
WO-2014041424-A1 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE INC. (CA) 2014-03-20 WO 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
CN-101610996-A Histone deacetylase inhibitors and prodrugs thereof METHYLGENE INC (CA) 2009-12-23 CN 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
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 (3 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 CYP4F2 2410/4885CYP4A11 840/4885ALDH1A1 1728/4885
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.