SCHEMBL3383993

SCHEMBL3383993

CCC(CCCCCC(=O)c1ccc(N2CCCCC2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
STAT1 P42224 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL3380346 0.89 GSK3B (0.50) HDAC1HDAC8ALDH1A1NPC1SMN1; SMN2
SCHEMBL3380367 0.81 HDAC1 (0.72) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL7179101 0.78 HDAC1 (0.62) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL12649829 0.78 HDAC1 (0.63) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL3383995 0.77 HDAC1 (0.63) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL11763488 0.76 RAB9A (0.61) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL10605457 0.76 RAB9A (0.61) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL3381679 0.75 HDAC1 (0.57) HDAC1HDAC8SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL10623684 0.75 RAB9A (0.60) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL1521148 0.75 HDAC8 (1.00) HDAC1HDAC8

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 HDAC1 1/4885HDAC8 9/4885ALDH1A1 796/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885ALDH1A1 796/4885

“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.