SCHEMBL3382103

SCHEMBL3382103

CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
HDAC1 Q13547 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HSD17B3 P37058 6/20 0.49
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL3381682 0.96 HDAC1 (0.61) KMT2AALDH1A1MAPTHPGDHDAC1
SCHEMBL14842796 0.95 KMT2A (0.65) KMT2AALDH1A1MAPTHPGDHDAC1
SCHEMBL10456907 0.89 KMT2A (0.68) KMT2AALDH1A1MAPTHPGDHDAC1
SCHEMBL13784599 0.87 HSD17B3 (0.51) KMT2AALDH1A1MAPTHPGDHSD17B3
SCHEMBL9442288 0.86 CA12 (0.54) KMT2AALDH1A1MAPTHPGDHSD17B3
SCHEMBL20039961 0.85 KMT2A (0.53) KMT2AALDH1A1MAPTHPGDHSD17B3
SCHEMBL11757752 0.84 KMT2A (0.63) KMT2AALDH1A1MAPTHPGDHDAC1
SCHEMBL1818434 0.84 KMT2A (0.63) KMT2AALDH1A1MAPTHPGDHDAC1
SCHEMBL7457718 0.84 KMT2A (0.53) KMT2AALDH1A1MAPTHPGDHSD17B3
SCHEMBL11039344 0.84 KMT2A (0.53) KMT2AALDH1A1MAPTHPGDHSD17B3

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 KMT2A 52/4885ALDH1A1 796/4885MAPT 2110/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885ALDH1A1 796/4885MAPT 2110/4885

“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.