O-Xylene

O-Xylene

SCHEMBL36981

Cc1ccccc1C.c1cncnc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
TSHR P16473 1/20 0.59
CYP2A6 P11509 3/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP19A1 P11511 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2C P18825 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP11B1 P15538 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 SCHEMBL1700859 0.82 TSHR (0.59) ACHETSHRCYP2A6GAAALDH1A1
O-Xylene SCHEMBL3497383 0.82 TSHR (0.59) ACHETSHRCYP2A6GAAALDH1A1
O-Xylene SCHEMBL18591322 0.81 ACHE (0.67) ACHETSHRCYP2A6ALDH1A1CA1
O-Xylene SCHEMBL1486308 0.80 TSHR (0.56) ACHETSHRCYP2A6GAAALDH1A1
Toluene SCHEMBL27840704 0.80 ACHE (0.61) ACHETSHRCYP2A6ALDH1A1CYP19A1
O-Xylene SCHEMBL29229407 0.80 TSHR (0.56) ACHETSHRCYP2A6GAAALDH1A1
O-Xylene SCHEMBL28284648 0.77 TSHR (0.83) ACHETSHRCYP2A6ALDH1A1CA1
O-Xylene SCHEMBL31325794 0.77 TSHR (0.83) ACHETSHRCYP2A6ALDH1A1CA1
O-Xylene SCHEMBL11034038 0.77 TSHR (1.00) ACHETSHRCYP2A6ALDH1A1CA1
O-Xylene SCHEMBL11035539 0.77 TSHR (1.00) ACHETSHRCYP2A6ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560828-B Polymerizable compound and optically anisotropic body formed therefrom 江苏创拓新材料有限公司 2024-01-26 CN disclosed
CN-113861128-B Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2023-08-01 CN disclosed
EP-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP disclosed
WO-2013027168-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS PFIZER INC. (US) 2013-02-28 WO disclosed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO disclosed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 US disclosed
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 US disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1931653-A2 THERAPEUTIC PYRROLIDINES Pfizer Products Inc. (US) 2008-06-18 EP disclosed
WO-2007031828-A2 THERAPEUTIC PYRROLIDINES PFIZER PRODUCTS INC. (US) 2007-03-22 WO 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 ACHE 15/4885TSHR 3904/4885CYP2A6 1264/4885
US-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA ACHE 4499/4885TSHR 785/4885CYP2A6 407/4885
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS NR1H2, NR1H3, NR1H4 ACHE 1718/4885TSHR 1440/4885CYP2A6 160/4885
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 ACHE 3144/4885TSHR 94/4885CYP2A6 1808/4885

“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.