P-Xylene

P-Xylene

SCHEMBL3539426

Cc1ccc(C)cc1.N#C[SeH]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP2A6 P11509 1/20 0.58
ACHE P22303 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 3/20 0.39
ALOX12 P18054 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
S100A4 P26447 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38

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 SCHEMBL1443687 0.81 ACHE (0.61) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL18229935 0.80
P-Xylene SCHEMBL461064 0.80 ACHE (0.89) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL28067071 0.80 ACHE (0.89) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL10881674 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL28325850 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL10339754 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL10339755 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL10657290 0.76 ACHE (0.80) ALDH1A1CYP2A6ACHETDP1CA1
P-Xylene SCHEMBL11770184 0.76 ACHE (1.00) ALDH1A1CYP2A6ACHETDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118867392-A Lithium ion battery electrolyte and application thereof 东莞理工学院 2024-10-29 CN claimed
CN-118867392-A Lithium ion battery electrolyte and application thereof 东莞理工学院 2024-10-29 CN disclosed
CN-118867392-A Lithium ion battery electrolyte and application thereof 东莞理工学院 2024-10-29 CN disclosed
US-7855232-B2 Organoselenium compound for cancer chemoprevention LKT LABORATORIES, INC. (US) 2010-12-21 US disclosed
US-20080108692-A1 Organoselenium compound for cancer chemoprevention LKT LABORATORIES, INC. (US) 2008-05-08 US disclosed
US-7314929-B2 Alkylene selenocyanate or an alkylene isoselenocyanate moiety; anticancer agents LKT LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7087639-B2 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2006-08-08 US disclosed
US-20060079462-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2006-04-13 US disclosed
US-20040158079-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2004-08-12 US disclosed
US-6703524-B2 ANTICANCER AGENTS LKT LABORATORIES, INC. 2004-03-09 US disclosed
US-20020165215-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2002-11-07 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 (4 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-20080108692-A1 Organoselenium compound for cancer chemoprevention SELENOI, GPX1, BRCA1 ALDH1A1 166/4885CYP2A6 761/4885ACHE 2333/4885
US-20060079462-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 ALDH1A1 153/4885CYP2A6 745/4885ACHE 2318/4885
US-20020165215-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 ALDH1A1 153/4885CYP2A6 745/4885ACHE 2318/4885
US-20040158079-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 ALDH1A1 153/4885CYP2A6 745/4885ACHE 2318/4885

“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.