SCHEMBL2406286

SCHEMBL2406286

CCOC12CC3CC(CC(NCc4ccc(C=CC(=O)NO)cc4)(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.62
HDAC3 O15379 15/20 0.62
HDAC8 Q9BY41 13/20 0.62
HDAC6 Q9UBN7 9/20 0.62
HDAC2 Q92769 12/20 0.55
HDAC5 Q9UQL6 6/20 0.55
HDAC4 P56524 3/20 0.55
HDAC10 Q969S8 1/20 0.48
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HDAC11 Q96DB2 1/20 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
SCHEMBL2406281 1.00 HDAC1 (0.62) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2404014 0.90 HDAC1 (0.64) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2404017 0.90 HDAC1 (0.64) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2402847 0.83 HDAC6 (0.66) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2402850 0.83 HDAC6 (0.66) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2403216 0.83 HDAC6 (0.76) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2403223 0.83 HDAC6 (0.76) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2403825 0.82 HDAC6 (0.68) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2403827 0.82 HDAC6 (0.68) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL2403348 0.81 HDAC1 (0.64) HDAC1HDAC3HDAC8HDAC6HDAC2

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 HDAC1 1/4885HDAC3 10/4885HDAC8 7/4885

“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.