O-Xylene

O-Xylene

SCHEMBL828368

CCCCOCCCC.Cc1ccccc1C

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 2/20 0.47
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
O-Xylene SCHEMBL29084625 0.93 LTA4H (0.47) TSHRACHEALDH1A1LTA4HHPGD
Butoxyethanol SCHEMBL6416346 0.90 TSHR (0.65) TSHRALDH1A1LTA4HHPGDCYP1A2
Orthocresol SCHEMBL10343638 0.86 TSHR (0.43) TSHRALDH1A1LTA4HHPGDCYP1A2
O-Xylene SCHEMBL27742544 0.85 ACHE (0.53) TSHRACHEALDH1A1LTA4HHPGD
Toluene SCHEMBL349785 0.84 TSHR (0.50) TSHRACHEALDH1A1LTA4HHPGD
SCHEMBL1710089 0.82 CYP2C19 (0.53) TSHRALDH1A1HPGDCYP1A2CYP2C9
Iodobenzene SCHEMBL27895666 0.82 TSHR (0.49) TSHRALDH1A1LTA4HHPGDCYP1A2
O-Xylene SCHEMBL10970480 0.82 TSHR (0.62) TSHRACHEALDH1A1LTA4HCYP1A2
O-Xylene SCHEMBL7939277 0.82 TSHR (0.62) TSHRACHEALDH1A1LTA4HCYP1A2
O-Xylene SCHEMBL10976233 0.82 TSHR (0.62) TSHRACHEALDH1A1LTA4HCYP1A2

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
CN-107036860-A Tissue treatment reagent 美国樱花检验仪器株式会社 2017-08-11 CN disclosed
CN-105017450-B Polyvinyl ether synthesis method 湖北荆洪生物科技股份有限公司 2017-02-01 CN disclosed
CN-101434546-B Synthesis method of 2, 6-dinitro-3, 4-xylyl alkyl ether UNIV ZHEJIANG TECHNOLOGY 2012-05-23 CN disclosed
US-8143463-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
CN-101309913-B Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LTD 2011-05-25 CN disclosed
US-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2011-04-21 US disclosed
US-7910730-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-22 US disclosed
US-7901527-B2 Microchip manufacturing method KONICA MINOLTA OPTO, INC. (JP) 2011-03-08 US disclosed
US-7902357-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-08 US disclosed
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2010-09-02 US disclosed
EP-2116853-A1 MICROCHIP MANUFACTURING METHOD Konica Minolta Opto, Inc. (JP) 2009-11-11 EP disclosed
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2009-05-28 US disclosed
CN-101434546-A Method for synthesizing 2,6- binitro-3,4-xylyl alkyl ether UNIV ZHEJIANG TECHNOLOGY (CN) 2009-05-20 CN disclosed
EP-1948626-B1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LTD (GB) 2009-03-04 EP disclosed
CN-101309913-A Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LTD (GB) 2008-11-19 CN disclosed
EP-1948626-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF Sinclair Pharmaceuticals Limited (GB) 2008-07-30 EP disclosed
WO-2007057681-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-05-24 WO disclosed
CN-1052490-C Method for increasing alpha to beta ratio in aspartame coupling reaction NUTRASWEET CO (US) 2000-05-17 CN disclosed
CN-1055539-A The method of α and beta ratio in raising L-aspartyl-L-phenyl methyl lactamine coupled reaction NUTRASWEET CO (US) 1991-10-23 CN disclosed
US-4758620-A Blend of solvent and arylsiloxane interlayer dielectric materials AKZO AMERICA INC. (US) 1988-07-19 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 (3 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-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 TSHR 950/4885ACHE 2011/4885ALDH1A1 2327/4885
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 TSHR 950/4885ACHE 2011/4885ALDH1A1 2327/4885
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 TSHR 943/4885ACHE 1995/4885ALDH1A1 2353/4885

“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.