SCHEMBL3369033

SCHEMBL3369033

CC(=O)OCC(ON1C(C)(C)CC(OC(=O)C(C)(C)C)CC1(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 3/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
CHRM1 P11229 7/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
PTGS1 P23219 1/20 0.33
CHRM2 P08172 5/20 0.32
CHRM5 P08912 5/20 0.32
CHRM3 P20309 5/20 0.32
CHRM4 P08173 4/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL3366978 0.83 KMT2A (0.40) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL25452991 0.80 KMT2A (0.46) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL4805192 0.80 TSHR (0.45) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL3366770 0.80 TACR1 (0.42) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL4886714 0.79 PABPC1 (0.41) KMT2ATSHRLMNAMEN1GAA
SCHEMBL12274081 0.75 TSHR (0.47) KMT2ATSHRCYP2D6LMNAGAA
SCHEMBL12285055 0.73 TSHR (0.45) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL13474844 0.73 KMT2A (0.61) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL19937304 0.73 KMT2A (0.61) KMT2ATSHRCYP2D6LMNAMEN1
SCHEMBL13846318 0.72 CYP2D6 (0.35) KMT2ATSHRCYP2D6LMNAMEN1

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-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
EP-1284966-A2 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES Ciba SC Holding AG (CH) 2003-02-26 EP disclosed
WO-2001092228-A2 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 KMT2A 1447/4885TSHR 831/4885CYP2D6 72/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 KMT2A 1055/4885TSHR 1905/4885CYP2D6 983/4885

“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.