M-Xylene

M-Xylene

SCHEMBL1788893

Cc1cccc(C)c1.O=C(O)c1ccc2c(c1)CNC2=O.O=C(O)c1ccc2c(c1)CNC2=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.51
FYN P06241 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
SMYD3 Q9H7B4 1/20 0.49
PRF1 P14222 1/20 0.47
PARP10 Q53GL7 2/20 0.46
PARP11 Q9NR21 2/20 0.46
GRM5 P41594 3/20 0.46
NTRK1 P04629 2/20 0.44
PIM1 P11309 2/20 0.44
FLT3 P36888 2/20 0.44
ROCK1 Q13464 2/20 0.44
DAPK3 O43293 1/20 0.44
GSK3B P49841 1/20 0.44
SRD5A2 P31213 2/20 0.43
SRD5A1 P18405 1/20 0.43
TDP2 O95551 3/20 0.43
KDR P35968 4/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL14332678 0.88 SMYD3 (0.58) CLK4DYRK1BSMYD3PRF1GRM5
M-Xylene SCHEMBL1784159 0.81 CLK4 (0.55) CLK4FYNDYRK1BPRF1PARP10
M-Xylene SCHEMBL1782272 0.80 CLK4 (0.56) CLK4FYNDYRK1BPRF1PARP10
M-Xylene SCHEMBL1785614 0.78 CLK4 (0.55) CLK4FYNDYRK1BPARP10PARP11
SCHEMBL14683952 0.77 NPC1 (0.58) CLK4SMYD3PRF1PARP10PARP11
SCHEMBL148819 0.77 PARP10 (0.68) CLK4FYNDYRK1BPRF1PARP10
SCHEMBL13680532 0.77 CLK4 (0.78) CLK4FYNDYRK1BPRF1PARP10
SCHEMBL22169857 0.76 AKR1C3 (0.55) SMYD3PRF1PARP10GRM5TDP2
SCHEMBL5879567 0.76 TDP2 (0.61) CLK4FYNDYRK1BSMYD3PRF1
SCHEMBL23933229 0.76 SMYD3 (0.51) CLK4FYNDYRK1BSMYD3PRF1

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 5 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
WO-2011060297-A2 OXYGEN SCAVENGERS, COMPOSITION COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS CONSTAR INTERNATIONAL, INC. (US) 2011-05-19 WO 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.