M-Xylene

M-Xylene

SCHEMBL1782272

Cc1cccc(C)c1.Nc1ccc2c(c1)CNC2=O.Nc1ccc2c(c1)CNC2=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.56
FYN P06241 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
PARP10 Q53GL7 3/20 0.50
PARP11 Q9NR21 2/20 0.50
DAPK3 O43293 1/20 0.48
NTRK1 P04629 1/20 0.48
PIM1 P11309 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3B P49841 1/20 0.48
ROCK1 Q13464 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GRM5 P41594 5/20 0.47
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PRF1 P14222 1/20 0.42
PARP1 P09874 2/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL1162923 0.88 CA12 (0.53) CLK4DYRK1BDAPK3NTRK1PIM1
M-Xylene SCHEMBL1785614 0.83 CLK4 (0.55) CLK4FYNDYRK1BPARP10PARP11
M-Xylene SCHEMBL1784159 0.83 CLK4 (0.55) CLK4FYNDYRK1BPARP10PARP11
SCHEMBL148819 0.81 PARP10 (0.68) CLK4FYNDYRK1BPARP10PARP11
SCHEMBL13680532 0.81 CLK4 (0.78) CLK4FYNDYRK1BPARP10PARP11
Ethane SCHEMBL27832823 0.80 PARP10 (0.66) CLK4FYNDYRK1BPARP10PARP11
M-Xylene SCHEMBL1788893 0.80 CLK4 (0.51) CLK4FYNDYRK1BPARP10PARP11
Tert-Butyl Formate SCHEMBL28007313 0.77 GSK3B (0.41) CLK4DAPK3NTRK1PIM1FLT3
SCHEMBL29508433 0.74 NTRK2 (0.56) CLK4FYNDYRK1BPARP10NTRK1
SCHEMBL1233219 0.74 NTRK2 (0.56) CLK4FYNDYRK1BPARP10NTRK1

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-9222020-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2015-12-29 US disclosed
US-20130266752-A1 Oxygen Scavengers, Compositions Comprising the Scavengers, and Articles Made from the Compositions WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2013-10-10 US disclosed
US-8450398-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions CONSTAR INTERNATIONAL, INC. (US) 2013-05-28 US disclosed
US-20110117301-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2011-05-19 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-20110117301-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT CLK4 4833/4885FYN 896/4885DYRK1B 4717/4885

“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.