SCHEMBL2404920

SCHEMBL2404920

O=C(/C=C/c1ccc(CNC(=O)CC2C3CC4CC2CC(O)(C4)C3)cc1)NO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.57
HDAC1 Q13547 17/20 0.57
HDAC6 Q9UBN7 15/20 0.57
HDAC2 Q92769 14/20 0.57
HDAC8 Q9BY41 16/20 0.47
HDAC5 Q9UQL6 13/20 0.47
HDAC4 P56524 10/20 0.47
HDAC10 Q969S8 7/20 0.47
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
HDAC7 Q8WUI4 7/20 0.43
HDAC11 Q96DB2 7/20 0.43
HDAC9 Q9UKV0 7/20 0.43

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
SCHEMBL2404924 1.00 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2403230 0.87 HDAC1 (0.58) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL12318191 0.87 HDAC1 (0.58) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404873 0.85 HDAC1 (0.60) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404869 0.85 HDAC1 (0.60) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2403296 0.83 HDAC6 (0.58) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2403303 0.83 HDAC6 (0.58) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL7942705 0.80 HDAC1 (0.55) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404870 0.78 HDAC3 (0.53) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2407868 0.78 HDAC3 (0.71) HDAC3HDAC1HDAC6HDAC2HDAC8

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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US claimed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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 (1 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HDAC3 10/4885HDAC1 1/4885HDAC6 8/4885

“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.