Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of O-Xylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| O-Xylene SCHEMBL29725142 | 1.00 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28085642 | 1.00 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL10476945 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038085 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6364680 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL3381229 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28471142 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6364677 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038086 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL11776221 | 0.88 | TSHR (0.56) | TSHRACHESMN1; SMN2ALDH1A1NPC1 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016115286-A1 | ENZYME SOLUTION, ENZYME-CONTAINING NON-WOVEN FABRIC, AND METHODS OF PREPARATION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2016-07-21 | — | — | WO | claimed |
| CN-114929849-A | Redeposition-inhibiting polymer and detergent composition containing same | 路博润先进材料公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-108947460-B | Artificial ore plate and preparation method thereof, and composite floor and preparation method thereof | 浙江天振科技股份有限公司 | 2021-04-30 | — | — | CN | disclosed |
| US-10287260-B2 | Composite containing catalytic metal nanoparticles, and use for same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2019-05-14 | — | — | US | disclosed |
| CN-105887107-B | A kind of efficient environmental-protection engine aqueous rinsing liquid | 福建省纯杰绿色科技有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-105732257-B | A kind of separation method of mixed xylenes | 南京师范大学 | 2018-01-05 | — | — | CN | disclosed |
| CN-104557646-B | Produce the commercial run of arylsulfur pentafluorides | 宇部兴产株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-106946755-A | Produce the commercial run of arylsulfur pentafluorides | 宇部兴产株式会社 | 2017-07-14 | — | — | CN | disclosed |
| EP-3063146-A1 | DETERGENT COMPOSITIONS | Innospec Limited (GB) | 2016-09-07 | — | — | EP | disclosed |
| EP-3063137-A1 | DETERGENT COMPOSITIONS | Innospec Limited (GB) | 2016-09-07 | — | — | EP | disclosed |
| EP-0414441-B1 | Burnishing method and composition | REM CHEMICALS INC (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5158629-A | REDUCING SURFACE ROUGHNESS OF METALLIC OBJECTS AND BURNISHING LIQUID USED | REM CHEMICALS, INC. (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0410976-A4 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0414441-A2 | Burnishing method and composition | REM CHEMICALS, INC. (US) | 1991-02-27 | — | — | EP | disclosed |
| EP-0410976-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1991-02-06 | — | — | EP | disclosed |
| US-4957731-A | CONDITIONERS, QUATERNIZED LACTAMS | GAF CHEMICALS CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4885158-A | Heat stable quaternized lactams having oxylated sulfur anions | GAF CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| WO-1989010115-A1 | HAIR PROCESSING ADDITIVES | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| WO-1989010358-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| US-4240919-A | MULTIVALENT METAL STEARATE SOAPS | S. C. JOHNSON & SON, INC. (US) | 1980-12-23 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10287260-B2 | Composite containing catalytic metal nanoparticles, and use for same | HPD, SND1, PGD | TSHR 4722/4885ACHE 180/4885SMN1; SMN2 1640/4885 |
“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.