O-Xylene

O-Xylene

SCHEMBL994540

Cc1ccccc1C.O=S(=O)(Cl)Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ACHE P22303 2/20 0.62
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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 SCHEMBL27972307 0.91 TSHR (0.59) TSHRACHEALDH1A1TDP1HSD17B10
O-Xylene SCHEMBL11776221 0.88 TSHR (0.56) TSHRACHEALDH1A1TDP1HSD17B10
SCHEMBL3833584 0.84 TSHR (0.43) TSHRACHEALDH1A1TDP1HSD17B10
SCHEMBL5446748 0.82 KEAP1 (0.56) TSHRACHEALDH1A1TDP1CA1
SCHEMBL352788 0.82 ALDH1A1 (0.71) TSHRACHEALDH1A1TDP1HSD17B10
SCHEMBL28806536 0.82 TSHR (0.41) TSHRACHEALDH1A1TDP1HSD17B10
SCHEMBL995202 0.82 ACHE (0.71) TSHRACHEALDH1A1TDP1HSD17B10
O-Xylene SCHEMBL29725142 0.81 TSHR (0.62) TSHRACHEALDH1A1TDP1HSD17B10
O-Xylene SCHEMBL27875104 0.81 TSHR (0.62) TSHRACHEALDH1A1TDP1HSD17B10
O-Xylene SCHEMBL28085642 0.81 TSHR (0.62) TSHRACHEALDH1A1TDP1HSD17B10

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
CN-87107746-A Insecticidal ethers compound 1988-04-27 CN claimed
CN-111187188-A Synthesis method of substituted thiophenol 普济生物科技(台州)有限公司 2020-05-22 CN disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
CN-101381333-B Method for preparing corresponding thiophenol by reduction of aromatic sulfonic acid or derivates thereof UNIV ZHEJIANG 2012-09-19 CN disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
CN-101421272-A 3-unsubstituted N-(aryl- or heteroarvl)-pyrazolori (1,5-a) pyrimidines as kinase inhibitors NOVARTIS AG (CH) 2009-04-29 CN disclosed
CN-101381333-A Method for preparing corresponding phenyl-sulfhydrate by reduction of aromatic sulfonic acid or derivates thereof UNIV ZHEJIANG (CN) 2009-03-11 CN disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-4382125-A POLYURETHANE FOAM BASF WYANDOTTE CORPORATION (US) 1983-05-03 US disclosed
US-4359550-A USE OF A TRIMERIZATION CATALYST BASF WYANDOTTE CORPORATION (US) 1982-11-16 US disclosed
US-4359541-A TRIMERIZATION CATALYSTS BASF WYANDOTTE CORPORATION (US) 1982-11-16 US disclosed
EP-0056582-A1 Process for the preparation of polyisocyanurate dispersions modified with halogenated alcohols and compositions prepared therefrom BASF WYANDOTTE CORPORATION (US) 1982-07-28 EP disclosed
EP-0056583-A1 Polyisocyanurate polymer dispersions, and cellular and non-cellular polyurethane products prepared therefrom BASF Corporation (US) 1982-07-28 EP disclosed
EP-0056581-A1 Process for the preparation of polyisocyanurate dispersions and compositions prepared therefrom BASF WYANDOTTE CORPORATION (US) 1982-07-28 EP disclosed
US-4326043-A FIREPROOFING BASF WYANDOTTE CORPORATION (US) 1982-04-20 US disclosed
US-4304838-A FILMS FOR PEELABLE DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1981-12-08 US disclosed
US-4157261-A PHOTOINITIATOR, CHLORINATED POLYOLEFIN BINDER FUJI PHOTO FILM CO., LTD. (JP) 1979-06-05 US disclosed
US-4050936-A Image forming process with photopolymer layers between a support and a substrate FUJI PHOTO FILM CO., LTD. (JA) 1977-09-27 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 (2 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 TSHR 2461/4885ACHE 3753/4885ALDH1A1 239/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS TSHR 3930/4885ACHE 141/4885ALDH1A1 1336/4885

“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.