SCHEMBL7943279

SCHEMBL7943279

O=C(/C=C/c1ccc(CNC(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.64
HDAC1 Q13547 12/20 0.64
HDAC6 Q9UBN7 11/20 0.64
HDAC2 Q92769 10/20 0.64
HDAC8 Q9BY41 10/20 0.55
HDAC5 Q9UQL6 9/20 0.55
HDAC4 P56524 6/20 0.55
HDAC10 Q969S8 3/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
HDAC11 Q96DB2 3/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC9 Q9UKV0 2/20 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
SCHEMBL2405648 0.88 MEN1 (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL7947510 0.87 HDAC3 (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2403209 0.81 HDAC3 (0.71) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404198 0.81 HDAC1 (0.78) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2407868 0.81 HDAC3 (0.71) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404193 0.81 HDAC1 (0.78) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2405652 0.80 MEN1 (0.52) HDAC3HDAC1HDAC6HDAC2MEN1
SCHEMBL2405650 0.80 MEN1 (0.52) HDAC3HDAC1HDAC6HDAC2MEN1
SCHEMBL2404858 0.79 HDAC3 (0.68) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404865 0.79 HDAC3 (0.68) 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 disclosed
WO-2010043953-A2 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-04-22 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 (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.