P-Xylene

P-Xylene

SCHEMBL713870

Cc1ccc(C)cc1.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 0.50
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
CHRM2 P08172 1/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10880444 0.86 CHRM2 (0.58) THRBHTTALDH1A1CHRM2MAPT
M-Xylene SCHEMBL716015 0.83 THRB (0.53) THRBHTTALDH1A1GAAMAPT
SCHEMBL6161907 0.80 THRB (0.66) THRBHTTALDH1A1CYP2A6GAA
SCHEMBL151133 0.79
SCHEMBL11144102 0.76 ALDH1A1 (0.47) THRBHTTALDH1A1GAATSHR
SCHEMBL28584833 0.76 ALDH1A1 (0.47) THRBHTTALDH1A1GAATSHR
SCHEMBL1188228 0.76 ALDH1A1 (0.47) THRBHTTALDH1A1GAATSHR
P-Xylene SCHEMBL28290544 0.75 ALDH1A1 (0.46) THRBHTTALDH1A1CYP2A6DRD3
SCHEMBL6020322 0.73 ALDH1A1 (0.60) HTTALDH1A1GAAL3MBTL1PDE4A
SCHEMBL5551251 0.73 MAPT (0.59) THRBHTTALDH1A1GAAMAPT

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 2933/4885HTT 1457/4885ALDH1A1 4005/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 THRB 2411/4885HTT 1001/4885ALDH1A1 4203/4885

“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.