P-Xylene

P-Xylene

SCHEMBL1443687

CC#N.Cc1ccc(C)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 6/20 0.61
CYP2A6 P11509 1/20 0.61
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
S100A4 P26447 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.39

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
Acetonitrile SCHEMBL11187430 0.87 ACHE (0.77) ACHETDP1ALDH1A1CYP2A6TSHR
Acetonitrile SCHEMBL28407908 0.85 ALDH1A1 (0.48) ACHETDP1ALDH1A1CYP2A6CA1
P-Cresol SCHEMBL28281389 0.85 ACHE (0.72) ACHETDP1ALDH1A1CYP2A6CA1
P-Xylene SCHEMBL28067071 0.83 ACHE (0.89) ACHETDP1ALDH1A1CYP2A6CA1
P-Xylene SCHEMBL18229935 0.83
Toluene SCHEMBL355333 0.83 TSHR (0.69) ACHETDP1ALDH1A1CYP2A6TSHR
Toluene SCHEMBL17498723 0.83 TSHR (0.69) ACHETDP1ALDH1A1CYP2A6TSHR
Toluene SCHEMBL6372716 0.83 TSHR (0.69) ACHETDP1ALDH1A1CYP2A6TSHR
P-Xylene SCHEMBL461064 0.83 ACHE (0.89) ACHETDP1ALDH1A1CYP2A6CA1
P-Xylene SCHEMBL3539426 0.81 ALDH1A1 (0.58) ACHETDP1ALDH1A1CYP2A6CA1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827559-B2 Method for preparing nano metal/metal oxide loaded molecular sieve catalyst Changzhou University (CN) 2017-11-28 US claimed
CN-107075467-A Differentiation of hepatocyte-like cells from stem cells 新加坡科技研究局 2017-08-18 CN claimed
US-20160074849-A1 METHOD FOR PREPARING NANO METAL/METAL OXIDE LOADED MOLECULAR SIEVE CATALYST Changzhou University 2016-03-17 US claimed
EP-2475663-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES Actavis Group Ptc Ehf (IS) 2012-07-18 EP claimed
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2012-06-28 US claimed
WO-2011030224-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2011-03-17 WO claimed
CN-107250283-B Compounds and compositions containing the same 住友化学株式会社 2019-09-10 CN disclosed
CN-107193072-B Elliptical polarization plate 住友化学株式会社 2018-08-28 CN disclosed
US-9827559-B2 Method for preparing nano metal/metal oxide loaded molecular sieve catalyst Changzhou University (CN) 2017-11-28 US disclosed
CN-107250322-A Composition comprising a metal oxide and a metal oxide 住友化学株式会社 2017-10-13 CN disclosed
CN-107250283-A compounds and compositions containing the same 住友化学株式会社 2017-10-13 CN disclosed
CN-107193072-A Elliptical polarization plate 住友化学株式会社 2017-09-22 CN disclosed
CN-107075467-A Differentiation of hepatocyte-like cells from stem cells 新加坡科技研究局 2017-08-18 CN disclosed
CN-103123403-B Polarization film, circular polarization light board and employ their organic EL image display device 住友化学株式会社 2016-12-21 CN disclosed
US-20160074849-A1 METHOD FOR PREPARING NANO METAL/METAL OXIDE LOADED MOLECULAR SIEVE CATALYST Changzhou University 2016-03-17 US disclosed
EP-2475663-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES Actavis Group Ptc Ehf (IS) 2012-07-18 EP disclosed
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2012-06-28 US disclosed
WO-2011030224-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2011-03-17 WO disclosed
CN-1919863-A 2-aza steride framework compound and synthesis method SHANGHAI INST ORGANIC CHEM (CN) 2007-02-28 CN disclosed
CN-1298730-C Steroid skeleton compound, synthetic method and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2007-02-07 CN 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-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES REN, DHPS, AVPR2 ACHE 4730/4885TDP1 2732/4885ALDH1A1 271/4885

“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.