SCHEMBL6502736

SCHEMBL6502736

CC1(C)CC(O)CC(C)(C)N1Oc1ccc(Cc2ccc(ON3C(C)(C)CC(O)CC3(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
LTA4H P09960 7/20 0.35
ELANE P08246 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
PSMB1 P20618 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB2 P49721 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
GAA P10253 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
SCHEMBL7028932 0.81 TSHR (0.39) CYP2D6KMT2AALDH1A1RAB9AGAA
SCHEMBL6818225 0.70 AGXT (0.38) KMT2AALDH1A1RAB9AHRH3GAA
SCHEMBL9042599 0.69 KMT2A (0.33) CYP2D6KMT2AGAA
SCHEMBL11784258 0.68 KMT2A (0.40) CYP2D6KMT2AALDH1A1MEN1RAB9A
SCHEMBL2810533 0.67
SCHEMBL352949 0.66 GAA (0.36) GAA
SCHEMBL7803186 0.66 GAA (0.36) GAA
SCHEMBL4985361 0.66 DHFR (0.41) KMT2AALDH1A1MEN1GAA
SCHEMBL13008873 0.66 SLC6A2 (0.38) CYP2D6KMT2AMEN1HRH3
SCHEMBL4821757 0.65 ALDH1A1 (0.41) CYP2D6KMT2AALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US claimed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP claimed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US claimed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 WO claimed
US-6841668-B2 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
US-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2003-11-06 US disclosed
US-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP disclosed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US disclosed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 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-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines KMO, PPOX, TAOK1 CYP2D6 2519/4885LTA4H 3856/4885ELANE 4667/4885
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines SOD1, NNMT, TYR CYP2D6 751/4885LTA4H 1328/4885ELANE 2227/4885

“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.