SCHEMBL2408015

SCHEMBL2408015

COC(=O)/C=C/c1ccc(CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TOP2A P11388 4/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR2 P34972 3/20 0.36
ESR1 P03372 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2404834 0.85 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2404841 0.85 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2408019 0.78 KDM4E (0.44) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2408017 0.78 KDM4E (0.44) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2404957 0.77 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL23922093 0.74 ALDH1A1 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL8824415 0.74 CYP1A2 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL8824417 0.74 CYP1A2 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL22870161 0.74 HTT (0.42) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL8824412 0.73 ALDH1A1 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC8

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 8/4885HDAC3 10/4885HDAC4 9/4885

“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.