SCHEMBL2404885

SCHEMBL2404885

O=C(O)C=Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.63
HDAC3 O15379 5/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC5 Q9UQL6 3/20 0.63
HDAC4 P56524 2/20 0.63
HDAC2 Q92769 2/20 0.54
CNR2 P34972 1/20 0.49
RARB P10826 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.45
LMNA P02545 1/20 0.45
TOP2A P11388 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL2404883 1.00 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL7935105 0.88 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2403223 0.88 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2403216 0.88 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2404957 0.86 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2404960 0.79 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2404962 0.79 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL1421158 0.79 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2402959 0.78 HDAC1 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2402966 0.78 HDAC1 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC5

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 1 patent. 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

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 HDAC6 8/4885HDAC3 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.