SCHEMBL3381682

SCHEMBL3381682

CCOC(=O)CCCCCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
KMT2A Q03164 2/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.46
HSD17B3 P37058 6/20 0.45
NPC1 O15118 1/20 0.45
HAO1 Q9UJM8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL3382103 0.96 KMT2A (0.63) HDAC1HDAC8KMT2AHPGDALDH1A1
SCHEMBL14842796 0.91 KMT2A (0.65) HDAC1HDAC8KMT2AHPGDALDH1A1
SCHEMBL11757752 0.90 KMT2A (0.63) HDAC1HDAC8KMT2AHPGDALDH1A1
SCHEMBL3382930 0.87 L3MBTL1 (0.59) HDAC1HDAC8KMT2AHPGDALDH1A1
SCHEMBL10456907 0.85 KMT2A (0.68) HDAC1HDAC8KMT2AHPGDALDH1A1
SCHEMBL3383976 0.84 HDAC8 (0.58) HDAC1HDAC8KMT2AALDH1A1MAPT
SCHEMBL6138451 0.84 KMT2A (0.51) KMT2AHPGDALDH1A1MAPTHSD17B3
SCHEMBL13784599 0.83 HSD17B3 (0.51) KMT2AHPGDALDH1A1MAPTTDP1
SCHEMBL9442288 0.82 CA12 (0.54) KMT2AHPGDALDH1A1MAPTTDP1
SCHEMBL20039961 0.82 KMT2A (0.53) KMT2AHPGDALDH1A1MAPTTDP1

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 9/4885KMT2A 52/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885KMT2A 52/4885

“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.