SCHEMBL3383941

SCHEMBL3383941

COc1ccc(C(=O)CCCCCCC(=O)O)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.90
HDAC8 Q9BY41 5/20 0.69
HDAC1 Q13547 5/20 0.69
HDAC3 O15379 3/20 0.62
HDAC4 P56524 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL3104200 1.00 PDE4B (0.90) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL2413943 0.98 PDE4B (0.93) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL3383272 0.95 PDE4B (0.82) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL99448 0.95 PDE4B (1.00) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL3171960 0.91 PDE4B (0.79) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL503582 0.87 PDE4B (0.80) PDE4BHDAC8HDAC1HDAC3HDAC4
Methoxyacetic Acid SCHEMBL7820069 0.87 PDE4B (0.85) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL4082864 0.87 PDE4B (0.86) PDE4BHDAC8HDAC1HDAC3HDAC4
SCHEMBL9522917 0.86 HDAC8 (0.69) PDE4BHDAC8HDAC1NPC1RAB9A
SCHEMBL10865339 0.86 HDAC8 (0.69) PDE4BHDAC8HDAC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046304-B1 PHARMACEUTICAL FORM WITH MULTILAYER SEPARATING LAYER EVONIK ROEHM GMBH (DE) 2013-10-09 EP disclosed
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
EP-2046304-A1 PHARMACEUTICAL FORM WITH MULTILAYER SEPARATING LAYER Evonik Röhm GmbH (DE) 2009-04-15 EP disclosed
WO-2008012115-A1 PHARMACEUTICAL FORM WITH MULTILAYER SEPARATING LAYER EVONIK RÖHM GMBH (DE) 2008-01-31 WO 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 PDE4B 2147/4885HDAC8 9/4885HDAC1 1/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PDE4B 2147/4885HDAC8 9/4885HDAC1 1/4885

“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.