SCHEMBL9605426

SCHEMBL9605426

Cc1ccc(/C=C/c2cccc(CO)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.56
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
ALOX5 P09917 2/20 0.46
RELA Q04206 2/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LCK P06239 1/20 0.41
PLAU P00749 1/20 0.40
FGF23 Q9GZV9 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL9454625 0.85 TSHR (0.52) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL9335390 0.85 TSHR (0.52) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL9335412 0.85 TSHR (0.52) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL11358871 0.82 HDAC4 (0.48) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL11220909 0.82 HDAC4 (0.48) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL26316674 0.82 NFE2L2 (0.56) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL15096127 0.82 RELA (0.57) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL16080798 0.81 PTGS1 (0.49) NFE2L2PTGS1PTGS2RELAKDM1A
SCHEMBL15096128 0.81 NFE2L2 (0.52) NFE2L2PTGS1PTGS2ALOX5RELA
SCHEMBL2749448 0.80 NFE2L2 (0.73) NFE2L2PTGS1PTGS2ALOX5RELA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 NFE2L2 95/4885PTGS1 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.