Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethyl Vanillin. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.80 |
| ▸ | MEN1 | O00255 | 7/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | TOP2A | P11388 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.54 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.54 |
| ▸ | ALPI | P09923 | 1/20 | 0.51 |
| ▸ | ALPG | P10696 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | PIM1 | P11309 | 2/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.48 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ethyl Vanillin SCHEMBL28567316 | 0.95 | ALDH1A1 (0.72) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL367277 | 0.94 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL434399 | 0.94 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL27604602 | 0.91 | ALDH1A1 (0.80) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL27438399 | 0.90 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL30247 | 0.89 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL29351334 | 0.89 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL719058 | 0.89 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL5277489 | 0.88 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL30402049 | 0.88 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103343487-B | High-end cigarette paper containing black vanilla extract and preparation method thereof | HUBEI CHINA TOBACCO IND CO LTD | 2015-07-22 | — | — | CN | claimed |
| CN-1950057-B | Menthol derivative and cooling agent composition comprising the same | TAKASAGO PERFUMERY CO LTD | 2010-05-05 | — | — | CN | claimed |
| WO-2007092811-A2 | SIALAGOGUE BASED ORAL CARE PRODUCTS | WHITEHILL ORAL TECHNOLOGIES, INC. (US) | 2007-08-16 | — | — | WO | claimed |
| CN-1950057-A | Menthol derivative and cooling agent composition comprising the same | TAKASAGO PERFUMERY CO LTD (JP) | 2007-04-18 | — | — | CN | claimed |
| WO-2021107059-A1 | ABSORBENT ARTICLE | ユニ・チャーム株式会社 | 2021-06-03 | — | — | WO | disclosed |
| CN-109069362-A | oral care compositions containing potassium nitrate and peroxide | 宝洁公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108883039-A | Oral care compositions with effective flavor display | 宝洁公司 | 2018-11-23 | — | — | CN | disclosed |
| US-9959392-B2 | Olfactory signature and odorant mixture having the same | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2018-05-01 | — | — | US | disclosed |
| US-9937115-B2 | Oral care compositions with improved flavor | THE PROCTER & GAMBLE COMPANY (US) | 2018-04-10 | — | — | US | disclosed |
| CN-107847402-A | Oral care compositions containing AMPS polymers, copolymers or crosslinked polymers | 宝洁公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-103343487-B | High-end cigarette paper containing black vanilla extract and preparation method thereof | HUBEI CHINA TOBACCO IND CO LTD | 2015-07-22 | — | — | CN | disclosed |
| US-20140221269-A1 | OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2014-08-07 | — | — | US | disclosed |
| US-20120082628-A1 | Oral Care Compositions With Improved Flavor | THE PROCTER & GAMBLE COMPANY | 2012-04-05 | — | — | US | disclosed |
| CN-1950057-B | Menthol derivative and cooling agent composition comprising the same | TAKASAGO PERFUMERY CO LTD | 2010-05-05 | — | — | CN | disclosed |
| US-20070088508-A1 | Cocrystallization methods | APTUIT (WEST LAFAYETTE), LLC | 2007-04-19 | — | — | US | disclosed |
| CN-1950057-A | Menthol derivative and cooling agent composition comprising the same | TAKASAGO PERFUMERY CO LTD (JP) | 2007-04-18 | — | — | CN | 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-20120082628-A1 | Oral Care Compositions With Improved Flavor | TRPA1, TAS2R40, TAS2R30 | ALDH1A1 1558/4885MEN1 4311/4885KMT2A 1953/4885 |
“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.