SCHEMBL6738995

SCHEMBL6738995

CC(C)(C)c1cc(C=[N+]([O-])C(C)(C)CO)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
GALR3 O60755 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 4/20 0.44
TSHR P16473 4/20 0.44
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
BLM P54132 3/20 0.44
HIF1A Q16665 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP2C19 P33261 3/20 0.44
LMNA P02545 3/20 0.44
GMNN O75496 2/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL6738999 0.87 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL6269589 0.83 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL2160179 0.81 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL5983680 0.79 VCAM1 (0.35) KMT2AALDH1A1TSHRNPSR1GPR55
SCHEMBL13624831 0.74 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL6729105 0.73 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL14472045 0.72 HTT (0.63) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL6735300 0.70 SIRT1 (0.43) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL1821480 0.68 PTGS1 (0.74) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL1821479 0.68 PTGS1 (0.74) MEN1KMT2ASMN1; SMN2HTTALDH1A1

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-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US claimed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US claimed
US-6835754-B2 Administering alpha-(4-hydroxy-3,5-di-tert-butylphenyl)-N-tert-octylnitrone for example RENOVIS, INC. 2004-12-28 US disclosed
US-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2004-10-21 US disclosed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 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 (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-20040209958-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRK1, OPRD1 MEN1 4651/4885KMT2A 2183/4885SMN1; SMN2 20/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 MEN1 4544/4885KMT2A 2422/4885SMN1; SMN2 13/4885

“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.