Vanillin

Vanillin

SCHEMBL5520253

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

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.76
▸ TDP1 Q9NUW8 3/20 0.76
▸ HPGD P15428 2/20 0.76
▸ TRIM24 O15164 1/20 0.76
▸ ALDH5A1 P51649 1/20 0.76
▸ ABAT P80404 1/20 0.76
▸ TRIM33 Q9UPN9 1/20 0.76
▸ AOX1 Q06278 1/20 0.57
▸ XDH P47989 1/20 0.55
▸ TSHR P16473 5/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ NFKB1 P19838 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ ALOX5 P09917 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ AR P10275 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ CYP2D6 P10635 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52

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 SCHEMBL5529254 0.88 ALDH1A1 (0.71) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL44060 0.87 ALDH1A1 (0.86) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL720723 0.87 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL29354839 0.87 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL1213 0.87 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL27673973 0.85 ALDH1A1 (0.89) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL19260053 0.85 ALDH1A1 (0.96) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL20549709 0.85 ALDH1A1 (0.96) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL19149274 0.85 ALDH1A1 (0.96) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL11269339 0.85 ALDH1A1 (0.96) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975833-B Saccharomyces cerevisiae recombinant strain for producing vanillin and construction method thereof 厦门大学 2024-07-12 — — CN disclosed
US-20230183159-A1 METHOD FOR THE TREATMENT OF A COMPOSITION COMPRISING NATURAL VANILLIN SPECIALTY OPERATIONS FRANCE (FR) 2023-06-15 — — US disclosed
CN-115975833-A Saccharomyces cerevisiae recombinant strain for producing vanillin and construction method thereof 厦门大学 2023-04-18 — — CN disclosed
US-20070231864-A1 Vanillin production DAVID MICHAEL & CO., INC. 2007-10-04 — — US disclosed
US-7226783-B1 Vanillin production DAVID MICHAEL & CO., INC. (US) 2007-06-05 — — US disclosed
US-20070044174-A1 Vanillin production DAVID MICHAEL & CO., INC. (US) 2007-02-22 — — US disclosed
WO-2003071861-A2 VANILLIN BIOSYNTHETIC PATHWAY ENZYME FROM VANILLA PLANIFOLIA DAVID MICHAEL & CO., INC. (US) 2003-09-04 — — WO disclosed
US-20030070188-A1 Vanillin biosynthetic pathway enzyme from Vanilla planifolia DAVID MICHAEL & CO., INC. 2003-04-10 — — US disclosed
EP-1012235-A4 IMPROVED VANILLIN PRODUCTION DAVID MICHAEL & CO INC (US) 2002-07-31 — — EP disclosed
EP-1012235-A1 IMPROVED VANILLIN PRODUCTION David Michael & CO., Inc. (US) 2000-06-28 — — EP disclosed
WO-1999003975-A1 IMPROVED VANILLIN PRODUCTION DAVID MICHAEL & CO., INC. (US) 1999-01-28 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183159-A1 METHOD FOR THE TREATMENT OF A COMPOSITION COMPRISING NATURAL VANILLIN SDHA, COMT, NDUFV2 ALDH1A1 189/4885TDP1 3517/4885HPGD 368/4885

“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.

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