Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Orthocresol. 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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL30777535 | 1.00 | TRPA1 (0.48) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL23727940 | 0.98 | TRPA1 (0.46) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL21178091 | 0.98 | TRPA1 (0.46) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL28818617 | 0.93 | TRPA1 (0.46) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL28835341 | 0.91 | TRPA1 (0.44) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL28383837 | 0.87 | TRPA1 (0.46) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL10419161 | 0.87 | TRPA1 (0.60) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL170162 | 0.87 | TRPA1 (0.60) | TRPA1ATMCYP1A2CYP2C19ALDH1A1 | |
| Orthocresol SCHEMBL29395276 | 0.87 | — | — | |
| Orthocresol SCHEMBL16002 | 0.87 | — | — |
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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025133394-A1 | METABOLIC FINGERPRINTING OF SALIVA SAMPLES USING NMR | MAVEN HEALTH GMBH (CH) | 2025-06-26 | — | — | WO | claimed |
| US-20240393304-A1 | METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF | NESTLE SA (CH) | 2024-11-28 | — | — | US | claimed |
| EP-4409295-A1 | METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF | Société des Produits Nestlé S.A. (CH) | 2024-08-07 | — | — | EP | claimed |
| CN-117362572-A | Novel phenolized modified lignin-based flame-retardant rigid polyurethane foam material and preparation method thereof | 青岛双星轮胎工业有限公司 | 2024-01-09 | — | — | CN | claimed |
| EP-4188075-A1 | NUTRIENT LOSS REDUCTION METHOD, USES AND PRODUCTS | PGG Wrightson Seeds Limited (NZ) | 2023-06-07 | — | — | EP | claimed |
| WO-2023052261-A1 | METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF. | Société des Produits Nestlé S.A. (CH) | 2023-04-06 | — | — | WO | claimed |
| WO-2023004055-A1 | METABOLIC AND INFLAMMATORY MARKERS FOR CAR-T CELL THERAPY | THE CLEVELAND CLINIC FOUNDATION (US) | 2023-01-26 | — | — | WO | claimed |
| CN-114026427-A | Marker for diagnosing renal disease and diagnostic method | 深圳市中医院 | 2022-02-08 | — | — | CN | claimed |
| WO-2022025774-A1 | NUTRIENT LOSS REDUCTION METHOD, USES AND PRODUCTS | PGG WRIGHTSON SEEDS LIMITED (NZ) | 2022-02-03 | — | — | WO | claimed |
| WO-2021207822-A1 | DETECTION, TREATMENT, AND MONITORING OF MICROBIOME-DEPENDANT PROTEIN FERMENTATION METABOLITES | MCPHARMA BIOTECH INC. (CA) | 2021-10-21 | — | — | WO | claimed |
| CN-106537145-B | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2020-08-25 | — | — | CN | claimed |
| EP-3650852-A1 | BLOOD BASED BIOMARKERS FOR DIAGNOSING ATHEROSCLEROTIC CORONARY ARTERY DISEASE | Global Genomics Group, LLC (US) | 2020-05-13 | — | — | EP | claimed |
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | claimed |
| CN-109498484-A | A kind of permanent bubble and its hair colouring methods of having hair dyed | 拉芳家化股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109298115-A | A variety of metabolin quantitative detecting methods and metabolism chip in biological sample | 深圳市绘云生物科技有限公司 | 2019-02-01 | — | — | CN | claimed |
| CN-106537145-A | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2017-03-22 | — | — | CN | claimed |
| EP-3129909-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | Metabolon, Inc. (US) | 2017-02-15 | — | — | EP | claimed |
| WO-2016115496-A1 | METABOLITE BIOMARKERS PREDICTIVE OF RENAL DISEASE IN DIABETIC PATIENTS | JOSLIN DIABETES CENTER (US) | 2016-07-21 | — | — | WO | claimed |
| WO-2015157407-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | METABOLON, INC. (US) | 2015-10-15 | — | — | WO | claimed |
| WO-2011010103-A1 | METHODS AND USES | IMPERIAL INNOVATIONS LIMITED (GB) | 2011-01-27 | — | — | WO | claimed |
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-20240393304-A1 | METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF | GRM4, TLR4, HTR4 | TRPA1 1676/4885ATM 3167/4885CYP1A2 1437/4885 |
“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.