SCHEMBL2408017

SCHEMBL2408017

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
EPHX2 P34913 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CNR2 P34972 1/20 0.36
SCN9A Q15858 1/20 0.36
LMNA P02545 2/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
FAAH O00519 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL2408019 1.00 KDM4E (0.44) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL2408015 0.78 HDAC6 (0.41) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL2404960 0.77 HDAC6 (0.55) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL2404962 0.77 HDAC6 (0.55) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL2404841 0.76 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL2404834 0.76 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL23977808 0.72 CNR2 (0.42) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL15029047 0.72 HDAC6 (0.48) KDM4EALDH1A1HDAC6HDAC3HDAC4
SCHEMBL3360337 0.72 CNR2 (0.46) KDM4EALDH1A1HDAC6EPHX2MEN1
SCHEMBL15009200 0.72 MEN1 (0.49) KDM4EALDH1A1HDAC6HDAC3HDAC4

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 KDM4E 664/4885ALDH1A1 1442/4885HDAC6 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.