SCHEMBL8296332

SCHEMBL8296332

O=C(CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 1.00
HDAC8 Q9BY41 7/20 1.00
HDAC6 Q9UBN7 7/20 1.00
HDAC3 O15379 6/20 1.00
HDAC2 Q92769 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
HDAC7 Q8WUI4 2/20 1.00
HDAC10 Q969S8 2/20 1.00
HDAC11 Q96DB2 2/20 1.00
HDAC4 P56524 1/20 1.00
HDAC9 Q9UKV0 1/20 1.00
EPHX2 P34913 6/20 0.73
GBA1 P04062 2/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
FAAH O00519 1/20 0.54

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
SCHEMBL1365506 0.84 HDAC3 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL17293731 0.84 HDAC3 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL27592378 0.84 EPHX2 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL12931877 0.84 EPHX2 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL15779858 0.84 EPHX2 (0.76) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL5477403 0.84 HDAC3 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL5355989 0.84 HDAC3 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1193774 0.84 HDAC3 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL12237542 0.84 HDAC3 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20985682 0.84 HDAC3 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258677-B1 HISTONE DEACETYLASE INHIBITORS UNIV GEORGETOWN (US) 2014-06-18 EP disclosed
US-8748463-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-06-10 US disclosed
US-8748463-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-06-10 US disclosed
US-20130065963-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2013-03-14 US disclosed
US-20130065963-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2013-03-14 US disclosed
US-8222451-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2012-07-17 US disclosed
US-8222451-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2012-07-17 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-04-28 US disclosed
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-04-28 US disclosed
US-7842835-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-11-30 US disclosed
US-7842835-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-11-30 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 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-20130065963-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC8 9/4885HDAC6 2/4885
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC8 9/4885HDAC6 2/4885

“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.