SCHEMBL1780126

SCHEMBL1780126

COC(=O)C=Cc1ccc([C@@H]2CCCN2CCc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 2/20 0.51
TYR P14679 1/20 0.51
HDAC1 Q13547 5/20 0.49
KCNH2 Q12809 1/20 0.49
MET P08581 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
HRH3 Q9Y5N1 4/20 0.43
ESR1 P03372 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41

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
SCHEMBL1780125 1.00 CA12 (0.51) CA12CA7CA9CA14CA1
SCHEMBL1780117 1.00 CA12 (0.51) CA12CA7CA9CA14CA1
SCHEMBL8004533 0.92 HDAC1 (0.51) CA12CA7CA9CA14CA1
SCHEMBL3407719 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL1780092 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL3411220 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL1780094 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL1777921 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL1777919 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1
SCHEMBL1777924 0.91 HDAC1 (0.49) HDAC1KCNH2HRH3OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CA12 277/4885CA7 219/4885CA9 250/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CA12 277/4885CA7 219/4885CA9 250/4885

“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.