SCHEMBL2404370

SCHEMBL2404370

Cn1cc(CNC23CC4CC(CC(C4)C2)C3)cc1/C=C/C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2404373 1.00 HDAC6 (0.51) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2404311 0.90 HDAC6 (0.61) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2404315 0.90 HDAC6 (0.61) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2406196 0.89 HDAC6 (0.47) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2406199 0.83 HDAC6 (0.43) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2406201 0.83 HDAC6 (0.43) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2404723 0.80 HDAC1 (0.48) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2404726 0.80 HDAC1 (0.48) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL7936506 0.79 HDAC8 (0.38) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL2404883 0.75 HDAC6 (0.63) HDAC6HDAC8HDAC3HDAC1HDAC4

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
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 8/4885HDAC8 7/4885HDAC3 10/4885

“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.