SCHEMBL6501569

SCHEMBL6501569

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
KMT2A Q03164 2/20 0.64
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ESR1 P03372 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRNA7 P36544 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HTT P42858 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CARM1 Q86X55 1/20 0.42

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
SCHEMBL7533362 0.86 TSHR (0.75) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138721 0.86 KMT2A (0.84) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9440201 0.84 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9043360 0.84 TSHR (0.73) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138526 0.84 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9440204 0.84 TSHR (0.82) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9040899 0.83 TSHR (0.71) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1138480 0.83 TSHR (1.00) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL9041038 0.83 TSHR (0.71) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL12862639 0.83 TSHR (0.71) TSHRKMT2AGAAMEN1ALDH1A1

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 TSHR 1858/4885KMT2A 1195/4885GAA 588/4885
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines SOD1, NNMT, TYR TSHR 1780/4885KMT2A 392/4885GAA 800/4885

“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.