SCHEMBL9605420

SCHEMBL9605420

Cc1cccc(/C=C/c2ccc(O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.65
PTGS1 P23219 2/20 0.65
PTGS2 P35354 2/20 0.65
RELA Q04206 2/20 0.62
APP P05067 3/20 0.61
TTR P02766 2/20 0.56
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
NQO2 P16083 2/20 0.53
LCK P06239 1/20 0.53
TP53 P04637 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52

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
SCHEMBL29673932 0.89 RELA (0.74) ALOX5PTGS1PTGS2RELATP53
SCHEMBL1179749 0.89 RELA (0.74) ALOX5PTGS1PTGS2RELATP53
SCHEMBL1179750 0.89 RELA (0.74) ALOX5PTGS1PTGS2RELATP53
SCHEMBL15999198 0.86 LCK (0.67) ALOX5PTGS1PTGS2RELAMMP1
SCHEMBL11981433 0.86 LCK (0.67) ALOX5PTGS1PTGS2RELAMMP1
SCHEMBL16105651 0.85 RELA (0.69) ALOX5PTGS1PTGS2RELATP53
SCHEMBL16105706 0.85 RELA (0.69) ALOX5PTGS1PTGS2RELATP53
SCHEMBL16105653 0.85 RELA (0.69) ALOX5PTGS1PTGS2RELATP53
SCHEMBL1931278 0.85 APP (0.73) ALOX5PTGS1PTGS2RELAAPP
SCHEMBL1795132 0.85 PTGS1 (0.69) ALOX5PTGS1PTGS2RELATP53

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-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRT1, SIRT2, SIRT3 ALOX5 3996/4885PTGS1 1853/4885PTGS2 2158/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 ALOX5 1792/4885PTGS1 168/4885PTGS2 192/4885

“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.