SCHEMBL8242439

SCHEMBL8242439

O=C(Cc1ccc(CCCCc2ccccc2)cc1)NOC(=O)CO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.55
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HDAC1 Q13547 6/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CNR2 P34972 1/20 0.45

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
SCHEMBL16909050 0.90 TRPV1 (0.54) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16909176 0.88 GAA (0.55) TRPV1GAAHPGDHDAC1ALDH1A1
Hydrochloric Acid SCHEMBL16909038 0.88 TRPV1 (0.52) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16909200 0.88 TRPV1 (0.52) TRPV1GAAHPGDHDAC1ALDH1A1
Hydrochloric Acid SCHEMBL16909041 0.87 GAA (0.54) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16908977 0.87 MAPT (0.51) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16909188 0.86 TRPV1 (0.56) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16909222 0.86 TRPV1 (0.50) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL16909205 0.86 TRPV1 (0.50) TRPV1GAAHPGDHDAC1ALDH1A1
SCHEMBL14188749 0.86 TRPV1 (0.59) TRPV1GAAHPGDHDAC1ALDH1A1

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 8 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 claimed
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
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 TRPV1 3547/4885GAA 182/4885HPGD 348/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 TRPV1 3547/4885GAA 182/4885HPGD 348/4885

“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.

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