SCHEMBL6731121

SCHEMBL6731121

CCCCCC(C)(C)[N+]([O-])=Cc1cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
VCAM1 P19320 3/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GPR55 Q9Y2T6 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2160179 0.81 SMN1; SMN2 (0.40) NPSR1GPR55GAAL3MBTL1
SCHEMBL5983540 0.77 VCAM1 (0.36) VCAM1NPSR1GPR55L3MBTL1
SCHEMBL5984007 0.74 VCAM1 (0.34) VCAM1L3MBTL1
SCHEMBL5984640 0.73 VCAM1 (0.32) VCAM1NPSR1GPR55
SCHEMBL5984722 0.73 VCAM1 (0.41) VCAM1
SCHEMBL8144830 0.72 PTGS1 (0.36) ALOX5
SCHEMBL5985457 0.70
SCHEMBL8141137 0.69 TDP1 (0.46) GAAL3MBTL1
SCHEMBL5983556 0.68 TUBB4A (0.39) ALOX5GAA
SCHEMBL5984662 0.67 PTGS2 (0.37) ALOX5ATM

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 2 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

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 ALOX5 400/4885RXRA 1423/4885PPARG 906/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 ALOX5 363/4885RXRA 1527/4885PPARG 937/4885

“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.