SCHEMBL4806145

SCHEMBL4806145

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD11B1 P28845 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 2/20 0.32
LSS P48449 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL4806168 1.00 MAPT (0.39) MAPTALDH1A1HDAC6NFKB1NFKB2
SCHEMBL4806158 1.00 MAPT (0.39) MAPTALDH1A1HDAC6NFKB1NFKB2
SCHEMBL4805470 0.89 NFKB1 (0.34) MAPTALDH1A1HDAC6NFKB1NFKB2
SCHEMBL4805484 0.89 NFKB1 (0.34) MAPTALDH1A1HDAC6NFKB1NFKB2
SCHEMBL4804604 0.79 HSD11B1 (0.38) ALDH1A1HDAC6HSD11B1LSSKMT2A
SCHEMBL4804600 0.79 HSD11B1 (0.38) ALDH1A1HDAC6HSD11B1LSSKMT2A
SCHEMBL29191918 0.77 DRD2 (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL29191917 0.77 DRD2 (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL4808648 0.77 ALDH1A1 (0.38) ALDH1A1HDAC6NFKB1NFKB2RELA
SCHEMBL4808631 0.77 ALDH1A1 (0.38) ALDH1A1HDAC6NFKB1NFKB2RELA

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 MAPT 4081/4885ALDH1A1 2260/4885HDAC6 4834/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 MAPT 4081/4885ALDH1A1 2260/4885HDAC6 4834/4885

“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.