O-Xylene

O-Xylene

SCHEMBL3196328

Cc1ccccc1C.N#Cc1cccc(O)c1Br

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
ESR2 Q92731 2/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
ACHE P22303 1/20 0.36
AR P10275 2/20 0.36
PGR P06401 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1663065 0.89 ESR2 (0.40) TSHRESR2CXCR1CXCR2AR
SCHEMBL1233144 0.81 TSHR (0.60) TSHRARALDH1A1KDM4ELMNA
SCHEMBL28637531 0.74 TSHR (0.52) TSHRTRPA1ATMESR2LDHA
O-Xylene SCHEMBL7156378 0.74 TSHR (0.76) TSHRESR2ACHEARALDH1A1
O-Xylene SCHEMBL28253952 0.74 TSHR (0.95) TSHRESR2ACHEARALDH1A1
SCHEMBL29458226 0.74
SCHEMBL2046791 0.74
SCHEMBL30755480 0.74 TSHR (0.52) TSHRTRPA1ATMESR2AR
SCHEMBL27373681 0.74 TSHR (0.52) TSHRTRPA1ATMESR2AR
SCHEMBL832 0.73 TSHR (0.46) TSHRESR2CXCR1CXCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028115-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2021-06-08 US disclosed
US-11028116-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2021-06-08 US disclosed
US-11008359-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-18 US disclosed
US-10995111-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-04 US disclosed
US-20210047357-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2021-02-18 US disclosed
US-20210009623-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2021-01-14 US disclosed
US-20210009622-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2021-01-14 US disclosed
US-20200325167-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2020-10-15 US disclosed
US-20200087336-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2020-03-19 US disclosed
US-10487102-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2019-11-26 US disclosed
US-7795424-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2010-09-14 US disclosed
US-20090062145-A1 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2009-03-05 US disclosed
US-7414116-B2 certain linkers connecting nucleotide bases to detachable labels (fluorophores) are cleaved using water soluble phosphines transition metal catalysts; sequencing; used in nick translation, random primer labeling, end-labeling (terminal deoxynucleotidyltransferase), reverse transcription, amplification ILLUMINA CAMBRIDGE LIMITED (GB) 2008-08-19 US disclosed
US-20060275843-A1 Methods for diagnosing the presence or stage of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-12-07 US disclosed
US-20060160081-A1 certain linkers connecting nucleotide bases to detachable labels (fluorophores) are cleaved using water soluble phosphines transition metal catalysts; sequencing; used in nick translation, random primer labeling, end-labeling (terminal deoxynucleotidyltransferase), reverse transcription, amplification ILLUMINA CAMBRIDGE LIMITED (GB) 2006-07-20 US disclosed
US-5879950-A ADDITION OF PHOSPHATIDYL CHOLINES (LECITHINS) TO CELL-FREE REACTION MIXTURE INCREASES RESTRICTION ENZYME RATE HELSINKI UNIVERSITY LICENSING LTD. OY (FI) 1999-03-09 US disclosed
US-5830643-A DETECTING A TARGET NUCLEIC ACID CANON KABUSHIKI KAISHA (JP) 1998-11-03 US disclosed
WO-1996040899-A1 MATERIALS AND METHODS FOR DIGESTING DNA OR RNA USING RESTRICTION ENDONUCLEASES HELSINKI UNIVERSITY LICENSING LTD. OY (FI) 1996-12-19 WO disclosed
EP-0385410-B1 Partially double-stranded oligonucleotide and method for forming oligonucleotide CANON KK (JP) 1996-10-02 EP disclosed
EP-0385410-A2 Partially double-stranded oligonucleotide and method for forming oligonucleotide CANON KABUSHIKI KAISHA (JP) 1990-09-05 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 (11 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-20200325167-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-20060160081-A1 certain linkers connecting nucleotide bases to detachable labels (fluorophores) are cleaved using water soluble phosphines transition metal catalysts; sequencing; used in nick translation, random primer labeling, end-labeling (terminal deoxynucleotidyltransferase), reverse transcription, amplification RNGTT, DNTT, POLQ TSHR 2634/4885TRPA1 3982/4885ATM 3867/4885
US-20210009623-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-20210009622-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-11008359-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-20210047357-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-10995111-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-20200087336-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-11028116-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-11028115-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TSHR 3330/4885TRPA1 4645/4885ATM 3879/4885
US-10487102-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TSHR 3376/4885TRPA1 4623/4885ATM 3897/4885

“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.