SCHEMBL3383995

SCHEMBL3383995

CCOC(=O)CCCCCCC(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL3380350 0.89 GSK3B (0.53) HDAC1HDAC8ALDH1A1KMT2AMAPT
SCHEMBL3379697 0.89 HDAC1 (0.64) HDAC1HDAC8ALDH1A1MAPTL3MBTL1
SCHEMBL3383182 0.82 SMN1; SMN2 (0.53) HDAC1HDAC8ALDH1A1KMT2AMAPT
SCHEMBL6826248 0.81 MAPT (0.51) HDAC1HDAC8ALDH1A1KMT2AMAPT
SCHEMBL3380367 0.81 HDAC1 (0.72) HDAC1HDAC8ALDH1A1MAPTNPC1
SCHEMBL12649829 0.81 HDAC1 (0.63) HDAC1HDAC8ALDH1A1MAPTNPC1
SCHEMBL11827249 0.79 MAPT (0.60) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL11763488 0.79 RAB9A (0.61) HDAC1HDAC8ALDH1A1KMT2AMAPT
SCHEMBL10605457 0.79 RAB9A (0.61) HDAC1HDAC8ALDH1A1KMT2AMAPT
SCHEMBL13784599 0.79 HSD17B3 (0.51) ALDH1A1KMT2AMAPTNPC1L3MBTL1

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.