SCHEMBL3379697

SCHEMBL3379697

CCOC(=O)CCCCCCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
MAPT P10636 3/20 0.49
HTR1A P08908 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3383995 0.89 HDAC1 (0.63) HDAC1HDAC8MAPTLMNAALDH1A1
SCHEMBL3380350 0.88 GSK3B (0.53) HDAC1HDAC8THRATHRBMAPT
SCHEMBL3380915 0.84 L3MBTL1 (0.67) HDAC1HDAC8MAPTLMNAALDH1A1
SCHEMBL3821909 0.84 L3MBTL1 (0.67) HDAC1HDAC8MAPTLMNAALDH1A1
SCHEMBL1374666 0.84 MAPT (0.72) MAPTHTR1ALMNANPSR1ALDH1A1
SCHEMBL3383182 0.83 SMN1; SMN2 (0.53) HDAC1HDAC8MAPTLMNANPSR1
SCHEMBL3381406 0.83 HDAC1 (0.75) HDAC1HDAC8THRATHRBMAPT
SCHEMBL5147538 0.82 L3MBTL1 (0.63) HDAC1HDAC8MAPTLMNAALDH1A1
SCHEMBL3382930 0.81 L3MBTL1 (0.59) HDAC1HDAC8MAPTLMNAALDH1A1
SCHEMBL8160104 0.81 HTR1A (0.58) MAPTHTR1A

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 HDAC1 1/4885HDAC8 9/4885THRA 3844/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885THRA 3844/4885

“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.