SCHEMBL4805484

SCHEMBL4805484

CCOC(=O)C=CCC1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
TTR P02766 1/20 0.31
DPP4 P27487 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
TSHR P16473 1/20 0.30
ASGR1 P07306 1/20 0.30

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
SCHEMBL4805470 1.00 NFKB1 (0.34) NFKB1NFKB2RELAMAPTHSD11B1
SCHEMBL4806168 0.89 MAPT (0.39) NFKB1NFKB2RELAMAPTHSD11B1
SCHEMBL4806145 0.89 MAPT (0.39) NFKB1NFKB2RELAMAPTHSD11B1
SCHEMBL4806158 0.89 MAPT (0.39) NFKB1NFKB2RELAMAPTHSD11B1
SCHEMBL5491684 0.80 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL5491683 0.80 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL912790 0.79 HSD11B1 (0.38) HSD11B1HDAC6KAT6AKAT8JAK2
SCHEMBL912788 0.79 HSD11B1 (0.38) HSD11B1HDAC6KAT6AKAT8JAK2
SCHEMBL24449608 0.77 HSD11B1 (0.40) NFKB1NFKB2RELAHSD11B1HDAC6
SCHEMBL25726386 0.77 HSD11B1 (0.40) NFKB1NFKB2RELAHSD11B1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 NFKB1 1756/4885NFKB2 1396/4885RELA 1373/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 NFKB1 1756/4885NFKB2 1396/4885RELA 1373/4885

“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.