SCHEMBL3384673

SCHEMBL3384673

OCCCCCCCC(O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC8 Q9BY41 1/20 0.62
CYP2D6 P10635 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
AOC3 Q16853 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
UGT2B7 P16662 1/20 0.50
HTR1A P08908 3/20 0.46
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 6/20 0.44
KCNH2 Q12809 4/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL9043925 0.93 HDAC1 (0.57) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL13801033 0.87 CYP2D6 (0.56) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL4449318 0.87 HDAC1 (0.50) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL3323530 0.85 HDAC1 (0.61) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL4915603 0.85 HDAC1 (0.61) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL11982981 0.83 HDAC1 (0.58) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL4912776 0.83 HDAC1 (0.58) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL13070298 0.81 HDAC1 (0.72) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL6317871 0.81 MEN1 (0.57) HDAC1HDAC8CYP2D6MEN1KMT2A
SCHEMBL31036064 0.81 MEN1 (0.57) HDAC1HDAC8CYP2D6MEN1KMT2A

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 9 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-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 9/4885CYP2D6 4762/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885CYP2D6 4762/4885

“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.