SCHEMBL6726973

SCHEMBL6726973

COCOc1c(C(C)(C)C)cc(C=[N+]([O-])Cc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL6735300 0.79 SIRT1 (0.43) BCHETNFRSF1A
SCHEMBL5983928 0.79 ALDH1A1 (0.33)
SCHEMBL6729370 0.74
SCHEMBL29094798 0.72 CYP19A1 (0.43)
SCHEMBL5984765 0.71
SCHEMBL27551737 0.71
SCHEMBL5984227 0.70 GABBR2 (0.34) TNFRSF1A
SCHEMBL5984261 0.68 ALDH1A1 (0.30)
SCHEMBL268060 0.68 BCHE (0.41) BCHE
SCHEMBL20562244 0.68 BCHE (0.41) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCHE 2931/4885TNFRSF1A 3227/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 BCHE 2675/4885TNFRSF1A 3478/4885

“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.