Vanillin

Vanillin

SCHEMBL891573

CCC(=O)O.COc1cc(C=O)ccc1O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
TDP1 Q9NUW8 3/20 0.78
HPGD P15428 2/20 0.78
TRIM24 O15164 1/20 0.78
ALDH5A1 P51649 1/20 0.78
ABAT P80404 1/20 0.78
TRIM33 Q9UPN9 1/20 0.78
KDM4E B2RXH2 2/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA3 P07451 2/20 0.59
PKM P14618 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
SNCA P37840 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59

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
Vanillin SCHEMBL28574264 0.91 ALDH1A1 (0.78) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL29190533 0.91 ALDH1A1 (0.78) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL11005312 0.90 ALDH1A1 (0.89) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL27673973 0.90 ALDH1A1 (0.89) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL29175199 0.90 ALDH1A1 (0.96) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL891610 0.90 ALDH1A1 (0.71) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL8992788 0.89 ALDH1A1 (0.76) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL44060 0.89 ALDH1A1 (0.86) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL15772747 0.89 ALDH1A1 (0.86) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL81718 0.89 ALDH1A1 (0.86) ALDH1A1TDP1HPGDTRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP claimed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US claimed
WO-2021071136-A2 NOVEL PRESERVATIVE, AND METHOD FOR PRODUCING SAME 동국대학교 산학협력단 2021-04-15 WO disclosed
CN-105814211-B Method for producing single cell oil from lignocellulosic material 耐思特公司 2020-11-06 CN disclosed
EP-2621462-B1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR PROCTER & GAMBLE (US) 2020-02-12 EP disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US disclosed
EP-2237683-A2 METHOD OF FLAVORING Givaudan SA (CH) 2010-10-13 EP disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 ALDH1A1 967/4885TDP1 4513/4885HPGD 956/4885
US-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 ALDH1A1 1558/4885TDP1 3315/4885HPGD 3178/4885

“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.