SCHEMBL4579838

SCHEMBL4579838

COC(=O)Cc1cccc(CCCC=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.51
CYP4F2 P78329 4/20 0.44
CYP4A11 Q02928 4/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HSP90AB1 P08238 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
TLR7 Q9NYK1 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL290033 0.91 SLC7A5 (0.54) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL12676811 0.84 CYP4A11 (0.62) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL4394735 0.84 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL4579913 0.83 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14420121 0.83 SLC7A5 (0.55) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL1628160 0.83 CYP4A11 (0.57) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL27864661 0.83 SLC7A5 (0.57) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL12400239 0.82 SLC7A5 (0.68) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL1630570 0.82 SLC7A5 (0.54) SLC7A5CYP4F2CYP4A11TLR7
SCHEMBL4577916 0.82 CYP4A11 (0.64) SLC7A5CYP4F2CYP4A11ALDH1A1GAA

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 14 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
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 (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 SLC7A5 4003/4885CYP4F2 3704/4885CYP4A11 2135/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 SLC7A5 4003/4885CYP4F2 3704/4885CYP4A11 2135/4885

“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.