SCHEMBL1878437

SCHEMBL1878437

CC(C)(C)OC(=O)/C=C/c1cccc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
TERT O14746 7/20 0.37
XPO1 O14980 1/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4283483 0.88 KDM4E (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4283486 0.88 KDM4E (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12904542 0.85 ALDH1A1 (0.45) HDAC6XPO1LMNAHTTCYP2C19
SCHEMBL1580130 0.84 LMNA (0.46) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL17321806 0.83 CA12 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL946916 0.81 LMNA (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL946065 0.81 LMNA (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL946064 0.81 LMNA (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL916582 0.80 MAPT (0.40) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL949433 0.80 LMNA (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
EP-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 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 (3 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 HDAC3 1/4885HDAC4 13/4885HDAC1 3/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC4 13/4885HDAC1 2/4885
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC4 8/4885HDAC1 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.