O-Xylene

O-Xylene

SCHEMBL9688145

CCOCC.Cc1ccccc1C

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ACHE P22303 2/20 0.59
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
DHODH Q02127 1/20 0.36
TP53 P04637 1/20 0.36
LTA4H P09960 1/20 0.36

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 SCHEMBL28327087 0.90 TSHR (0.48) TSHRACHEALDH1A1TDP1CYP3A4
O-Xylene SCHEMBL9818029 0.88 TSHR (0.46) TSHRACHEALDH1A1CA1CA2
Ether SCHEMBL28161113 0.83 GAA (0.44) TSHRACHEALDH1A1CA1CA2
Ether SCHEMBL7455606 0.83 TSHR (0.52) TSHRACHEALDH1A1TDP1CYP1A2
Orthocresol SCHEMBL8400076 0.83 CA2 (0.45) TSHRACHEALDH1A1CA1CA2
Ether SCHEMBL9771891 0.83 KDM4E (0.41) TSHRACHEALDH1A1MAPTTDP1
O-Xylene SCHEMBL10662343 0.81 ALDH1A1 (0.61) TSHRACHEALDH1A1TDP1GAA
Toluene SCHEMBL4611849 0.80 TSHR (0.61) TSHRACHEALDH1A1HTTTDP1
Toluene SCHEMBL6666240 0.80 TSHR (0.61) TSHRACHEALDH1A1HTTTDP1
Toluene SCHEMBL8432145 0.80 TSHR (0.61) TSHRACHEALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230095259-A1 SYNTHESIS OF PHEROMONE DERIVATIVES VIA Z-SELECTIVE OLEFIN METATHESIS PROVIVI, INC. (US) 2023-03-30 US disclosed
CN-110475782-A The synthetic method and its utilization of triazole silane compound, the compound SHIKOKU CHEM 2019-11-19 CN disclosed
CN-110317457-A Polysilazane composition, coating substrate and multilayer structure making 信越化学工业株式会社 2019-10-11 CN disclosed
CN-110240954-A A kind of cleaning compound diesel and preparation method thereof 中库金创有限公司 2019-09-17 CN disclosed
CN-110145698-A Silicone-modified polyimides resin combination is the LEDbulb lamp of filament base 浙江山蒲照明电器有限公司 2019-08-20 CN disclosed
CN-104650357-B Composition and preparation method thereof comprising nitrogenous organic oxysilane compound 信越化学工业株式会社 2019-08-02 CN disclosed
CN-110088076-A The manufacturing method of alcoholic compound 株式会社钟化 2019-08-02 CN disclosed
CN-109973833-A LED Filament and LED Bulb 嘉兴山蒲照明电器有限公司 2019-07-05 CN disclosed
CN-105492432-B Tetrazolinone compound and use thereof 住友化学株式会社 2019-06-14 CN disclosed
CN-106132938-B Tetrazolinone compound and use thereof 住友化学株式会社 2019-05-17 CN disclosed
CN-1476437-A Nematicidal trifluorobutenes �ձ��ݶ�ũҩ��ʽ���� 2004-02-18 CN disclosed
CN-1126752-C Neuraminic acid compounds SANKYO CO (JP) 2003-11-05 CN disclosed
CN-1098843-C Isoxazoles SANKYO CO (JP) 2003-01-15 CN disclosed
CN-1067992-C Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 2001-07-04 CN disclosed
CN-1184105-A Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 1998-06-10 CN disclosed
CN-1037842-C Substituted thiazolidine derivatives, pharmaceutical compositions and uses thereof OTSUKA PHARMA CO LTD (JP) 1998-03-25 CN disclosed
CN-1106982-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1995-08-16 CN disclosed
US-5166180-A Administering diphenyl substituted (thio)carbonyl(thio)urea derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-24 US disclosed
CN-1050386-A Indoles and benzo quinoline, their preparation and they are as anti-arrhythmic SANKYO CO (JP) 1991-04-03 CN disclosed
EP-0324521-A2 Method of treating haematologic diseases and pharmaceutical compositions to be used therefor DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-07-19 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 (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-20230095259-A1 SYNTHESIS OF PHEROMONE DERIVATIVES VIA Z-SELECTIVE OLEFIN METATHESIS ZDHHC7, ZDHHC2, ZDHHC9 TSHR 4078/4885ACHE 550/4885ALDH1A1 1561/4885

“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.