SCHEMBL13009455

SCHEMBL13009455

CCCON1C(C)(C)CC(NC(C)=O)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
ASGR1 P07306 1/20 0.32
EPHX2 P34913 1/20 0.32
OGA O60502 1/20 0.31
ATM Q13315 2/20 0.31
MAOB P27338 1/20 0.31
TACR1 P25103 1/20 0.30
TACR3 P29371 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 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
SCHEMBL28819085 0.91 ALDH1A1 (0.35) ALDH1A1KDM4EGAAASGR1EPHX2
SCHEMBL31540858 0.88 EPHX2 (0.37) GAASMN1; SMN2ASGR1EPHX2
SCHEMBL9041004 0.88 EPHX2 (0.37) GAASMN1; SMN2ASGR1EPHX2
SCHEMBL27701325 0.88 ALDH1A1 (0.34) ALDH1A1KDM4EGAAASGR1EPHX2
SCHEMBL9041269 0.88 KDM4E (0.37) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL4982955 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
Sulfuric Acid SCHEMBL3793070 0.86 EPHX2 (0.33) ALDH1A1ASGR1EPHX2OGA
Sulfuric Acid SCHEMBL3802428 0.86 EPHX2 (0.33) ALDH1A1ASGR1EPHX2OGA
Sulfuric Acid SCHEMBL27855613 0.85 EPHX2 (0.33) ALDH1A1ASGR1EPHX2OGA
SCHEMBL13726351 0.82 MAOB (0.32) KDM4EGAASMN1; SMN2KMT2AATM

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 5 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 889/4885KDM4E 724/4885GAA 1862/4885

“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.