SCHEMBL7367753

SCHEMBL7367753

COC(=O)CCCCCCC(=O)c1ncco1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.60
CES1 P23141 2/20 0.60
NCEH1 Q6PIU2 1/20 0.58
HDAC3 O15379 14/20 0.58
HDAC4 P56524 14/20 0.58
HDAC1 Q13547 14/20 0.58
HDAC7 Q8WUI4 14/20 0.58
HDAC2 Q92769 14/20 0.58
HDAC10 Q969S8 14/20 0.58
HDAC11 Q96DB2 14/20 0.58
HDAC8 Q9BY41 14/20 0.58
HDAC6 Q9UBN7 14/20 0.58
HDAC9 Q9UKV0 14/20 0.58
HDAC5 Q9UQL6 14/20 0.58

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
SCHEMBL5160527 0.85 FAAH (0.46) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL21645499 0.83 FAAH (0.83) FAAHCES1NCEH1HDAC3HDAC4
Hydrochloric Acid SCHEMBL21645495 0.81 FAAH (0.81) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7371238 0.81 FAAH (0.68) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL7444620 0.81 FAAH (0.81) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL21645829 0.81 FAAH (0.64) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL21645557 0.76 HDAC3 (0.58) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL38656879 0.75 HDAC3 (0.63) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL13764125 0.75 FAAH (1.00) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL22015495 0.75 CES1 (0.46) FAAHCES1NCEH1HDAC3HDAC4

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 FAAH 1179/4885CES1 418/4885NCEH1 245/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 FAAH 2579/4885CES1 451/4885NCEH1 120/4885

“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.