SCHEMBL4806152

SCHEMBL4806152

CCOC(=O)C=CCC[C@H]1CC[C@H](NCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4805477 0.89 MAPT (0.33) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL29191918 0.83 DRD2 (0.42) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL29191917 0.83 DRD2 (0.42) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL4808637 0.78 SMYD3 (0.43) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL4804312 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL7380787 0.76 EPHX1 (0.38) ALDH1A1KMT2AMEN1TSHR
SCHEMBL4806145 0.75 MAPT (0.39) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL4806158 0.75 MAPT (0.39) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL4806168 0.75 MAPT (0.39) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL4480474 0.75 HPGD (0.45) MAPTALDH1A1KMT2AMEN1TSHR

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 2260/4885KMT2A 3998/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 MAPT 4081/4885ALDH1A1 2260/4885KMT2A 3998/4885

“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.