M-Xylene

M-Xylene

SCHEMBL716015

Cc1cccc(C)c1.N#CCCNCCC#N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
ACHE P22303 2/20 0.48
HTT P42858 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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
P-Xylene SCHEMBL713870 0.83 THRB (0.50) THRBACHEHTTMAPTKMT2A
SCHEMBL10624792 0.79 MAPT (0.69) THRBHTTCYP1A2CYP3A4CYP2D6
M-Xylene SCHEMBL10785138 0.75 ACHE (0.75) ACHEHTTCYP1A2CYP3A4CYP2D6
M-Xylene SCHEMBL11710232 0.74 ACHE (0.57) ACHEHTTCYP1A2CYP3A4CYP2D6
SCHEMBL23183178 0.73 CTSL (0.41) THRBHTTKMT2AMEN1
SCHEMBL12756951 0.73 NPC1 (0.61) CYP1A2CYP3A4CYP2D6MAPTKMT2A
SCHEMBL11796808 0.73 MAPT (0.59) THRBHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11811489 0.73 KMT2A (0.73) HTTKMT2AALDH1A1PDE4APDE4B
M-Xylene SCHEMBL28225217 0.73 ACHE (0.71) ACHEHTTCYP1A2CYP3A4CYP2D6
M-Xylene SCHEMBL11709090 0.73 ACHE (0.71) ACHEHTTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
EP-2484677-A1 Polyamine derivative BASF SE (DE) 2012-08-08 EP disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 US disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 US disclosed
EP-1840127-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP 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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 THRB 2933/4885ACHE 3576/4885HTT 1457/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 THRB 2411/4885ACHE 4072/4885HTT 1001/4885

“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.