SCHEMBL3367031

SCHEMBL3367031

CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(COC(C)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
F2 P00734 1/20 0.33
G6PD P11413 1/20 0.33

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
SCHEMBL3367137 0.83 PPARA (0.34) ALDH1A1
SCHEMBL3365113 0.82 OPRM1 (0.34) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL6884754 0.81 ELANE (0.30)
SCHEMBL1138411 0.81 CYP2D6 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4886714 0.74 PABPC1 (0.41) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7071712 0.72
SCHEMBL3366978 0.72 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL3369033 0.71 KMT2A (0.45) ALDH1A1GAAKMT2AMEN1
SCHEMBL7073820 0.70 ELANE (0.30)
SCHEMBL12738651 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284966-B1 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES BASF SE (DE) 2010-03-17 EP disclosed
US-7402675-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-6900328-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-31 US disclosed
US-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides HAFNER ANDREAS (CH) 2005-02-24 US disclosed
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. 2003-09-11 US 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 MAPT 2782/4885ALDH1A1 958/4885SMN1; SMN2 4525/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 MAPT 4026/4885ALDH1A1 2416/4885SMN1; SMN2 2003/4885

“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.