SCHEMBL4980659

SCHEMBL4980659

CCCCON1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL13008914 0.95 GBA1 (0.35) EPHX2
SCHEMBL13008661 0.93 GBA1 (0.38) EPHX2
SCHEMBL9589284 0.93 GBA1 (0.38) EPHX2
SCHEMBL1002990 0.93 GBA1 (0.38) EPHX2
SCHEMBL581622 0.93 GBA1 (0.38) EPHX2
SCHEMBL3007587 0.93 GBA1 (0.38) EPHX2
SCHEMBL13008300 0.90 CYP2D6 (0.31) CYP2D6
SCHEMBL9039403 0.90 CYP2D6 (0.31) CYP2D6
SCHEMBL9041491 0.89 CYP2D6 (0.31) CYP2D6
SCHEMBL9040335 0.89 CYP2D6 (0.31) CYP2D6

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-7361755-B2 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-22 US claimed
US-20050085636-A1 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORP. 2005-04-21 US claimed
EP-1456173-A1 TRANSITION-METAL-CATALYZED PROCESS FOR THE CONVERSION OF ALKENES TO STERICALLY HINDERED SUBSTITUTED N-ALKOXYAMINES Ciba SC Holding AG (CH) 2004-09-15 EP claimed
WO-2003053931-A1 TRANSITION-METAL-CATALYZED PROCESS FOR THE CONVERSION OF ALKENES TO STERICALLY HINDERED SUBSTITUTED N-ALKOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-03 WO claimed
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
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-7361755-B2 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-22 US disclosed
US-7361755-B2 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-22 US disclosed
US-7361755-B2 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-22 US disclosed
US-20050085636-A1 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines CIBA SPECIALTY CHEMICALS CORP. 2005-04-21 US disclosed
EP-1456173-A1 TRANSITION-METAL-CATALYZED PROCESS FOR THE CONVERSION OF ALKENES TO STERICALLY HINDERED SUBSTITUTED N-ALKOXYAMINES Ciba SC Holding AG (CH) 2004-09-15 EP disclosed
WO-2003053931-A1 TRANSITION-METAL-CATALYZED PROCESS FOR THE CONVERSION OF ALKENES TO STERICALLY HINDERED SUBSTITUTED N-ALKOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-03 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-20050085636-A1 Transition-metal-catalyzed process for the conversion of alkenes to sterically hindered substituted n-alkoxyamines PNMT, NNMT, TET2 CYP2D6 674/4885MEN1 607/4885ALDH1A1 859/4885
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 CYP2D6 568/4885MEN1 4841/4885ALDH1A1 889/4885

“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.