SCHEMBL2814613

SCHEMBL2814613

CCCCCCON1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
PRKCA P17252 5/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX5 P09917 2/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL1001848 1.00 MAPT (0.36) MAPTGAAPRKCAHTTSMN1; SMN2
SCHEMBL647676 1.00 MAPT (0.36) MAPTGAAPRKCAHTTSMN1; SMN2
SCHEMBL1828803 1.00 MAPT (0.36) MAPTGAAPRKCAHTTSMN1; SMN2
SCHEMBL2810597 0.98 GAA (0.36) MAPTGAAPRKCAHTTSMN1; SMN2
SCHEMBL2814073 0.93 GAA (0.36) MAPTGAAHTTSMN1; SMN2MEN1
SCHEMBL13009446 0.87 GAA (0.39) GAAMEN1KMT2A
SCHEMBL4446863 0.85 GAA (0.38) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL8838256 0.79 ALDH1A1 (0.34) MAPTGAAHTTMEN1KMT2A
SCHEMBL9335192 0.79 LTA4H (0.36) MAPTGAAMEN1KMT2AMMP2
SCHEMBL677282 0.79 LTA4H (0.36) MAPTGAAMEN1KMT2AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
CN-101484422-B Process for the preparation of sterically hindered nitroxyl ethers CIBA HOLDING INC 2012-07-11 CN disclosed
EP-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
CN-101484422-A Process for the preparation of sterically hindered nitroxyl ethers CIBA HOLDING INC (CH) 2009-07-15 CN disclosed
EP-2035381-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
WO-2008003602-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
WO-2008003602-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
US-20070191516-A1 Process for the synthesis of amine ethers CIBA SPECIALTY CHEMICALS CORP. 2007-08-16 US disclosed
US-20070191516-A1 Process for the synthesis of amine ethers CIBA SPECIALTY CHEMICALS CORP. 2007-08-16 US disclosed
US-20070191516-A1 Process for the synthesis of amine ethers CIBA SPECIALTY CHEMICALS CORP. 2007-08-16 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-20070191516-A1 Process for the synthesis of amine ethers AOC2, AOX1, AKR7A2 MAPT 2680/4885GAA 3860/4885PRKCA 4880/4885
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 MAPT 1624/4885GAA 1862/4885PRKCA 4248/4885

“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.