SCHEMBL4805477

SCHEMBL4805477

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TTR P02766 1/20 0.30
DPP4 P27487 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
SCHEMBL4806152 0.89 MAPT (0.38) MAPTALDH1A1MEN1TSHRKMT2A
SCHEMBL30199537 0.83 DRD2 (0.41) ALDH1A1MEN1TSHRKMT2A
SCHEMBL5491683 0.79 MAPT (0.49) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL5491684 0.79 MAPT (0.49) MAPTALDH1A1HCAR2TTRDPP4
SCHEMBL7380787 0.77 EPHX1 (0.38) ALDH1A1MEN1TSHRKMT2A
SCHEMBL4808637 0.77 SMYD3 (0.43) ALDH1A1MEN1TSHRKMT2AKDM4E
SCHEMBL4804312 0.76 ALDH1A1 (0.45) ALDH1A1MEN1TSHRKMT2AKDM4E
SCHEMBL8585956 0.75 NR1H2 (0.42) ALDH1A1KMT2A
SCHEMBL8585954 0.75 NR1H2 (0.42) ALDH1A1KMT2A
SCHEMBL4805470 0.75 NFKB1 (0.34) MAPTALDH1A1TSHRHCAR2TTR

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 2260/4885MEN1 429/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 MAPT 4081/4885ALDH1A1 2260/4885MEN1 429/4885

“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.