SCHEMBL5984432

SCHEMBL5984432

CCCC(=O)c1c(C(C)(C)C)cc(C=[N+]([O-])C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
ALOX5 P09917 2/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
FASN P49327 1/20 0.31
MEN1 O00255 1/20 0.30
GALR3 O60755 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL5984662 0.92 PTGS2 (0.37) PTGS1PTGS2ALOX5ALDH1A1LMNA
SCHEMBL5984722 0.80 VCAM1 (0.41)
SCHEMBL5983696 0.79 PTGS1 (0.39) PTGS1PTGS2ALOX5ALDH1A1LMNA
SCHEMBL5986269 0.77 FFAR1 (0.34) SMN1; SMN2KMT2AMEN1GALR3HTT
SCHEMBL5984127 0.76 VCAM1 (0.45) SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL5984287 0.74 VCAM1 (0.39) ALDH1A1KMT2A
SCHEMBL6269589 0.74 SMN1; SMN2 (0.50) PTGS1PTGS2ALOX5ALDH1A1LMNA
SCHEMBL5984108 0.72 GAA (0.36) KMT2A
SCHEMBL5985540 0.71 VCAM1 (0.35) ALDH1A1SMN1; SMN2TSHRTDP1KMT2A
SCHEMBL6731511 0.71 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998419-B2 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. (US) 2006-02-14 US disclosed
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-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-10-07 US disclosed
US-6730700-B2 3,4,5,-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2004-05-04 US disclosed
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same RENOVIS, INC. 2003-04-24 US disclosed
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain RENOVIS, INC. 2002-11-07 US disclosed
US-6342523-B1 DRUGS AND ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. 2002-01-29 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 (4 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 PTGS1 95/4885PTGS2 217/4885ALOX5 400/4885
US-20030078297-A1 3,4,5-trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 PTGS1 13/4885PTGS2 86/4885ALOX5 106/4885
US-20040198835-A1 3,4,5-Trisubstituted aryl nitrone compounds and pharmaceutical compositions containing the same NOS1, NOS3, CBR1 PTGS1 16/4885PTGS2 109/4885ALOX5 106/4885
US-20020165274-A1 Use of aryl nitrone compounds in methods for treating neuropathic pain OPRL1, OPRD1, OPRK1 PTGS1 77/4885PTGS2 198/4885ALOX5 363/4885

“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.