SCHEMBL2019127

SCHEMBL2019127

CC1(C)CC(=O)CC(C)(C)N1OC1CC=CCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL646063 0.78 GAA (0.36) GAAMEN1KMT2AALDH1A1
SCHEMBL2021977 0.76
SCHEMBL2017813 0.74
SCHEMBL6813743 0.72 GAA (0.35) GAAMEN1KMT2A
SCHEMBL13009231 0.71 GAA (0.33) GAAMEN1KMT2A
SCHEMBL7473797 0.69 NAAA (0.42) GAAMEN1KMT2AALDH1A1
SCHEMBL14310769 0.68
SCHEMBL2022920 0.67 CYP2C9 (0.33)
SCHEMBL647198 0.63 GAA (0.43) GAAMEN1KMT2AALDH1A1
SCHEMBL8407499 0.62 GAA (0.33) GAAMEN1KMT2A

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
US-8481726-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-07-09 US disclosed
US-8481726-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-07-09 US disclosed
US-8481726-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-07-09 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
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers CIBA CORPORATION 2011-06-30 US disclosed
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers CIBA CORPORATION 2011-06-30 US disclosed
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers CIBA CORPORATION 2011-06-30 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
EP-2035382-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2009-11-18 EP disclosed
EP-2035382-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2009-11-18 EP disclosed
EP-2035382-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-2008003605-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
WO-2008003605-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 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-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 GAA 1862/4885MEN1 4841/4885KMT2A 2110/4885
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 GAA 1010/4885MEN1 4871/4885KMT2A 1911/4885

“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.