SCHEMBL2404960

SCHEMBL2404960

C/C(=C\c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.55
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
AKR1C3 P42330 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC2 Q92769 1/20 0.41
TBXAS1 P24557 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL2404962 1.00 HDAC6 (0.55) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2403178 0.81 KMT2A (0.65) ALDH1A1EPHX2HPGDMEN1KMT2A
SCHEMBL2404883 0.79 HDAC6 (0.63) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2404885 0.79 HDAC6 (0.63) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL15029019 0.78 HDAC6 (0.72) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2406199 0.77 HDAC6 (0.43) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2406201 0.77 HDAC6 (0.43) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2408019 0.77 KDM4E (0.44) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL2408017 0.77 KDM4E (0.44) HDAC6CNR2ALDH1A1KDM4EHDAC3
SCHEMBL1421158 0.76 HDAC6 (0.74) HDAC6CNR2ALDH1A1KDM4EHDAC3

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 8/4885CNR2 3645/4885ALDH1A1 1442/4885

“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.