SCHEMBL3366978

SCHEMBL3366978

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
G6PD P11413 1/20 0.34
GLA P06280 1/20 0.34
SLC18A3 Q16572 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 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
SCHEMBL13846318 0.87 CYP2D6 (0.35) KMT2ATSHRCYP2D6LMNAALDH1A1
SCHEMBL3366770 0.86 TACR1 (0.42) KMT2ATSHRCYP2D6LMNAALDH1A1
SCHEMBL4886714 0.85 PABPC1 (0.41) KMT2ATSHRLMNAPABPC1APOBEC3A
SCHEMBL3369033 0.83 KMT2A (0.45) KMT2ATSHRCYP2D6LMNAALDH1A1
SCHEMBL3627121 0.82 GSR (0.38) KMT2ATSHRCYP2D6LMNA
SCHEMBL25452991 0.78 KMT2A (0.46) KMT2ATSHRCYP2D6LMNAALDH1A1
SCHEMBL13008873 0.77 SLC6A2 (0.38) KMT2ATSHRCYP2D6LMNAMAPT
SCHEMBL12274081 0.77 TSHR (0.47) KMT2ATSHRCYP2D6LMNAALDH1A1
SCHEMBL6809943 0.74 KMT2A (0.37) KMT2ATSHRCYP2D6LMNA
SCHEMBL13211918 0.74 HSD11B1 (0.34) KMT2ATSHRCYP2D6LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536588-A Polyisocyanate composition for producing flexible polyurethane foam, and process for producing flexible polyurethane foam using same 东曹株式会社 2017-03-22 CN claimed
CN-102069037-B Composite hydrocarbon oil molybdenum flotation collecting agent and preparation method thereof UNIV XI AN ARCHITECTURE & TECH 2012-09-05 CN claimed
CN-102069037-A Composite hydrocarbon oil molybdenum flotation collecting agent and preparation method thereof UNIV XI AN ARCHITECTURE & TECH 2011-05-25 CN claimed
CN-102069037-B Composite hydrocarbon oil molybdenum flotation collecting agent and preparation method thereof UNIV XI AN ARCHITECTURE & TECH 2012-09-05 CN disclosed
CN-102069037-A Composite hydrocarbon oil molybdenum flotation collecting agent and preparation method thereof UNIV XI AN ARCHITECTURE & TECH 2011-05-25 CN disclosed
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-1294787-A2 USE OF LOW UNSATURATED POLYETHER POLYOLS IN SLABSTOCK FOAM APPLICATIONS BASF CORPORATION (US) 2003-03-26 EP 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
WO-2001090209-A2 USE OF LOW UNSATURATED POLYETHER POLYOLS IN SLABSTOCK FOAM APPLICATIONS BASF CORPORATION (US) 2001-11-29 WO disclosed
EP-0868455-A1 ELASTOMERIC POLYURETHANES WITH IMPROVED PROPERTIES BASED ON CRYSTALLIZABLE POLYOLS IN COMBINATION WITH LOW MONOL POLYOXYPROPYLENE POLYOLS ARCO Chemical Technology, L.P. (US) 1998-10-07 EP disclosed
WO-1997023531-A1 ELASTOMERIC POLYURETHANES WITH IMPROVED PROPERTIES BASED ON CRYSTALLIZABLE POLYOLS IN COMBINATION WITH LOW MONOL POLYOXYPROPYLENE POLYOLS ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1997-07-03 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.