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 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 SCHEMBL6364680 | 1.00 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL29725142 | 0.97 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6155104 | 0.97 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28085642 | 0.97 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28471142 | 0.94 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL10476945 | 0.94 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL3381229 | 0.94 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038086 | 0.94 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038085 | 0.94 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL11776221 | 0.86 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583516-A2 | PERSONAL CARE COMPOSITION CONTAINING A CATIONIC CELLULOSE POLYMER AND AN ANIONIC SURFACTANT SYSTEM | THE PROCTER & GAMBLE COMPANY (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004064802-A2 | PERSONAL CARE COMPOSITION CONTAINING A CATIONIC CELLULOSE POLYMER AND AN ANIONIC SURFACTANT SYSTEM | THE PROCTER & GAMBLE COMPANY (US) | 2004-08-05 | — | — | WO | disclosed |
| US-6703007-B2 | ACTIVATED POLYPEPTIDES; COSMETIC FOR HAIR, SKIN | THE PROCTER & GAMBLE COMPANY | 2004-03-09 | — | — | US | disclosed |
| CN-1433297-A | Topical compositions comprising protected functional thiols | PROCTER & GAMBLE (US) | 2003-07-30 | — | — | CN | disclosed |
| US-6544499-B1 | Polysiloxane or silicone resin, a linker, and a molecular hook for treating amino acid based substrates; hair care | THE PROCTER & GAMBLE COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-20020041855-A1 | TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES | THE PROCTER & GAMBLE COMPANY | 2002-04-11 | — | — | US | disclosed |
| CN-1342065-A | Topical compositions comprising functional nucleophiles protected by phosphorus-containing moieties | PROCTER & GAMBLE (US) | 2002-03-27 | — | — | CN | disclosed |
| US-20020012639-A1 | May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations | PROCTER & GAMBLE COMPANY, THE | 2002-01-31 | — | — | US | disclosed |
| EP-1143916-A2 | TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS | THE PROCTER & GAMBLE COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| EP-1139983-A2 | TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES | THE PROCTER & GAMBLE COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040210-A2 | TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-13 | — | — | WO | disclosed |
| WO-2000040209-A2 | TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-13 | — | — | WO | disclosed |
| EP-0708632-B1 | HIGH LATHERING ANTI-DANDRUFF SHAMPOOS | PROCTER & GAMBLE (US) | 1998-09-30 | — | — | EP | disclosed |
| CN-1130862-A | High lathering anti-dandruff shampoos with improved deposition of particulate anti-dandruff agent | PROCTER & GAMBLE (US) | 1996-09-11 | — | — | CN | disclosed |
| EP-0708632-A1 | HIGH LATHERING ANTI-DANDRUFF SHAMPOOS | THE PROCTER & GAMBLE COMPANY (US) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002389-A2 | HIGH LATHERING ANTI-DANDRUFF SHAMPOOS | THE PROCTER & GAMBLE COMPANY (US) | 1995-01-26 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020041855-A1 | TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES | PNISR, NUP205, POLR1C | TSHR 1364/4885ACHE 2616/4885SMN1; SMN2 4072/4885 |
| US-20020012639-A1 | May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations | SCLY, TST, SRR | TSHR 235/4885ACHE 3335/4885SMN1; SMN2 4113/4885 |
“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.