SCHEMBL6134497

SCHEMBL6134497

CCCCCOC1CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
CES2 O00748 2/20 0.32
BCHE P06276 1/20 0.31
LSS P48449 1/20 0.31
GBA1 P04062 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6135230 0.96 LIPC (0.39) EPHX2LIPCLIPGPDE4DPDE4A
SCHEMBL7768811 0.87 LSS (0.34) BCHELSS
SCHEMBL6134978 0.79 LIPG (0.43) EPHX2LIPCLIPGCES2LSS
SCHEMBL5268640 0.76 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL13107229 0.76 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL373475 0.74 CHRM3 (0.35) KMT2A
SCHEMBL1372021 0.74 MEN1 (0.30) KMT2A
SCHEMBL27974011 0.73 PRKCA (0.31) LSS
SCHEMBL212033 0.73 CHRM2 (0.42)
SCHEMBL6135635 0.73 MLNR (0.36) LIPCLIPGCES2

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 EPHX2 4789/4885LIPC 4656/4885LIPG 4270/4885

“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.