SCHEMBL7363832

SCHEMBL7363832

COc1cccc(CNC(=O)CCCCCCC(=O)C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.74
FAAH O00519 3/20 0.65
CNR1 P21554 1/20 0.63
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL7366428 0.89 EPHX2 (0.58) EPHX2FAAHCNR1HDAC1HDAC6
SCHEMBL7370758 0.88 EPHX2 (0.55) EPHX2FAAHCNR1
SCHEMBL28136625 0.85 EPHX2 (1.00) EPHX2FAAHCNR1
SCHEMBL30541869 0.85 EPHX2 (1.00) EPHX2FAAHCNR1
SCHEMBL7371165 0.85 CNR1 (0.62) EPHX2CNR1ALDH1A1HDAC1HDAC6
SCHEMBL28007018 0.85 EPHX2 (1.00) EPHX2FAAHCNR1
SCHEMBL30541868 0.85 EPHX2 (1.00) EPHX2FAAHCNR1
SCHEMBL17397649 0.84 EPHX2 (0.79) EPHX2FAAHCNR1ALDH1A1HTT
SCHEMBL7372287 0.83 MEN1 (0.54) EPHX2FAAHPOLBHDAC1HDAC6
SCHEMBL934606 0.82 EPHX2 (0.90) EPHX2FAAHCNR1ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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 (2 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 EPHX2 3092/4885FAAH 1179/4885CNR1 4370/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 EPHX2 3982/4885FAAH 2579/4885CNR1 4607/4885

“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.