SCHEMBL2733153

SCHEMBL2733153

COC(=O)C=Cc1ccc(CN2CCCC2CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 2/20 0.53
SPHK1 Q9NYA1 15/20 0.50
SPHK2 Q9NRA0 12/20 0.50
KCNH2 Q12809 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL2733156 1.00 HDAC8 (0.53) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL19994 1.00 HDAC8 (0.53) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL30660 0.90 HDAC8 (0.52) HDAC8HDAC6HDAC1KCNH2CA12
SCHEMBL30653 0.82 HDAC6 (0.45) HDAC8HDAC6HDAC1KCNH2CA12
SCHEMBL30446 0.80 HDAC1 (0.49) HDAC8HDAC6HDAC1SPHK1KCNH2
SCHEMBL15235871 0.80 HDAC6 (0.43) HDAC8HDAC6HDAC1KCNH2
SCHEMBL28743 0.80 HDAC6 (0.43) HDAC8HDAC6HDAC1KCNH2
SCHEMBL29629 0.79 HDAC1 (0.55) HDAC8HDAC6HDAC1KCNH2
SCHEMBL29630 0.79 HDAC1 (0.55) HDAC8HDAC6HDAC1KCNH2
SCHEMBL29097 0.79 HDAC1 (0.55) HDAC8HDAC6HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HDAC8 8/4885HDAC6 11/4885HDAC1 1/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC8 8/4885HDAC6 10/4885HDAC1 1/4885

“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.