SCHEMBL1364561

SCHEMBL1364561

COC(=O)CCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.71
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
GBA1 P04062 2/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
FAAH O00519 1/20 0.53
EPHX1 P07099 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL16365977 0.90 EPHX2 (0.61) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27592378 0.83 EPHX2 (1.00) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12931877 0.83 EPHX2 (1.00) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5355989 0.83 HDAC3 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15779858 0.83 EPHX2 (0.76) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17293731 0.83 HDAC3 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27004555 0.83 ATM (0.58) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20985682 0.83 HDAC3 (0.72) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1064819 0.82 EPHX2 (1.00) EPHX2
SCHEMBL12237547 0.81 EPHX2 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7

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 15 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-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-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
EP-2258677-A2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-12-08 EP disclosed
US-7842835-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-11-30 US disclosed
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2009-06-25 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
EP-1644323-A4 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2007-06-20 EP disclosed
EP-1644323-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2006-04-12 EP disclosed
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-02-10 US disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 WO disclosed
US-20050014839-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-01-20 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 (5 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 EPHX2 2211/4885HDAC3 5/4885HDAC4 6/4885
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 EPHX2 1649/4885HDAC3 4/4885HDAC4 7/4885
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 EPHX2 1649/4885HDAC3 4/4885HDAC4 7/4885
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 EPHX2 2211/4885HDAC3 5/4885HDAC4 6/4885
US-20050014839-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 EPHX2 2211/4885HDAC3 5/4885HDAC4 6/4885

“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.