SCHEMBL3380346

SCHEMBL3380346

CCC(CCCCCC(=O)c1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
THRB P10828 3/20 0.43
THRA P10827 2/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3383993 0.89 HDAC1 (0.59) HDAC1HDAC8NPC1MAPTALDH1A1
SCHEMBL13070200 0.82 GSK3B (0.60) GSK3BHDAC1HDAC8THRBTHRA
SCHEMBL3383399 0.81 GSK3B (0.61) GSK3BHDAC1HDAC8THRBTHRA
SCHEMBL22721390 0.81 GSK3B (0.61) GSK3BHDAC1HDAC8THRBTHRA
SCHEMBL30379812 0.80 GSK3B (0.63) GSK3BHDAC1HDAC8THRBTHRA
SCHEMBL3380350 0.77 GSK3B (0.53) GSK3BHDAC1HDAC8THRBTHRA
SCHEMBL1978734 0.77 GSK3B (0.67) GSK3BTHRBTHRANPC1MAPT
SCHEMBL22721391 0.76 GSK3B (0.56) GSK3BHDAC8NPC1MAPTALDH1A1
Ammonia Solution, Strong SCHEMBL28805139 0.76 GSK3B (0.65) GSK3BTHRBTHRANPC1MAPT
SCHEMBL29481619 0.75 GSK3B (0.51) GSK3BHDAC1HDAC8MAPTALDH1A1

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 5 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
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 GSK3B 231/4885HDAC1 1/4885HDAC8 9/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GSK3B 231/4885HDAC1 1/4885HDAC8 9/4885

“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.