SCHEMBL3378692

SCHEMBL3378692

O=C(O)CCCCCCC(=O)c1ccoc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
TRPA1 O75762 1/20 0.56
CYP3A4 P08684 1/20 0.54
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.44
PDE4B Q07343 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL9301622 0.87 TRPA1 (0.61) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL9671175 0.84 TRPA1 (0.58) TRPA1CYP3A4MAPT
SCHEMBL20582611 0.84 TRPA1 (0.58) TRPA1CYP3A4MAPT
SCHEMBL15988633 0.82 TRPA1 (0.69) TRPA1CYP3A4LMNAMAPTL3MBTL1
SCHEMBL3383126 0.81 HDAC1 (0.61) HDAC8HDAC1
SCHEMBL15988635 0.78 TRPA1 (0.59) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL4995985 0.77 TRPA1 (0.53) TRPA1CYP3A4MAPTTDP1HPGD
SCHEMBL3383102 0.75 HDAC1 (1.00) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL9356269 0.75 HDAC1 (1.00) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL9352420 0.75 HDAC1 (1.00) HDAC8HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 WO 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC8 9/4885HDAC1 1/4885HDAC3 3/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC8 9/4885HDAC1 1/4885HDAC3 3/4885

“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.