SCHEMBL3379510

SCHEMBL3379510

CCOC(=O)CCCCCCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.60
HDAC8 Q9BY41 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
GAA P10253 1/20 0.49
PTPN1 P18031 1/20 0.49
CYP4F2 P78329 1/20 0.48

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
SCHEMBL7835274 0.99 SMN1; SMN2 (0.58) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL30420736 0.96 SMN1; SMN2 (0.58) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3431783 0.86 HDAC1 (0.62) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL9805762 0.86 ALDH1A1 (0.60) HDAC1HDAC8NPC1ALDH1A1RAB9A
SCHEMBL9805782 0.86 HSD17B3 (0.49) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL9805783 0.85 ALDH1A1 (0.62) HDAC1HDAC8NPC1ALDH1A1RAB9A
SCHEMBL7230782 0.84 HDAC1 (0.65) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL4953757 0.84 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
SCHEMBL12952426 0.84 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2NPC1ALDH1A1
Naphthalene SCHEMBL28059486 0.83 CYP4F2 (0.63) SMN1; SMN2ALDH1A1GAACYP4F2CYP4A11

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 11 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-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US 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
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 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 HDAC1 1/4885HDAC8 9/4885SMN1; SMN2 3671/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885SMN1; SMN2 3671/4885

“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.