SCHEMBL7026682

SCHEMBL7026682

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.34
EZH2 Q15910 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM17 P78536 2/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL17586699 0.81 TSHR (0.43) TSHRKMT2AGAAEZH2ALDH1A1
SCHEMBL7028932 0.76 TSHR (0.39) TSHRKMT2AGAAEZH2ALDH1A1
SCHEMBL2878933 0.75 APLNR (0.34) TSHRKMT2A
SCHEMBL13260297 0.75 APLNR (0.34) TSHRKMT2A
SCHEMBL13282247 0.75 APLNR (0.34) TSHRKMT2A
SCHEMBL6501569 0.72 TSHR (0.71) TSHRKMT2AGAAALDH1A1MAPT
SCHEMBL17350892 0.71 TSHR (0.41) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL17586698 0.71 TSHR (0.40) TSHRKMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL17586696 0.71 TSHR (0.42) TSHRKMT2AGAAALDH1A1MAPT
Cadaverine Tartrate SCHEMBL3792352 0.71 TSHR (0.42) TSHRKMT2AGAAALDH1A1MAPT

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 6 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
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
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 (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-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.