SCHEMBL503137

SCHEMBL503137

O=Cc1cccc(O)c1OO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
ERN1 O75460 6/20 0.57
TRIM24 O15164 2/20 0.56
TRIM33 Q9UPN9 2/20 0.56
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 2/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL470709 0.82 CA1 (1.00) CA1CA2ERN1TRIM24TRIM33
SCHEMBL150617 0.78 ERN1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL31539049 0.78 ERN1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4645689 0.77 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL19337367 0.77 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4796390 0.77 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL3927888 0.77 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL2365269 0.77 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4645683 0.77 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL5343007 0.76 CA1 (0.64) CA1CA2ERN1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
WO-2000015605-A2 CHIRAL CYANOAMINES AND METHODS OF PREPARATION TRUSTEES OF BOSTON COLLEGE (US) 2000-03-23 WO 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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR CA1 2396/4885CA2 383/4885ERN1 4803/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR CA1 2396/4885CA2 383/4885ERN1 4803/4885

“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.