Vanillin

Vanillin

SCHEMBL4259101

COc1cc(C=O)ccc1O.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ HPGD P15428 2/20 0.69
▸ TRIM24 O15164 1/20 0.69
▸ ALDH5A1 P51649 1/20 0.69
▸ ABAT P80404 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ TRIM33 Q9UPN9 1/20 0.69
▸ CA12 O43570 2/20 0.62
▸ CA4 P22748 2/20 0.62
▸ CA6 P23280 2/20 0.62
▸ CA5A P35218 2/20 0.62
▸ CA7 P43166 2/20 0.62
▸ CA9 Q16790 2/20 0.62
▸ CA14 Q9ULX7 2/20 0.62
▸ CA5B Q9Y2D0 2/20 0.62
▸ SHBG P04278 1/20 0.55
▸ ALOX5 P09917 2/20 0.53
▸ APP P05067 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TTR P02766 3/20 0.53

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 SCHEMBL28295327 0.92 ALDH1A1 (0.69) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL5529254 0.87 ALDH1A1 (0.71) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL28601372 0.87 ALDH1A1 (0.81) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL19838304 0.87 ALDH1A1 (0.81) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL27845333 0.87 ALDH1A1 (0.93) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL8320727 0.85 ALDH1A1 (0.83) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL29175199 0.85 ALDH1A1 (0.96) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL28865251 0.85 ALDH1A1 (0.68) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Cis/Trans-Isoeugenol SCHEMBL3968435 0.85 TYR (0.70) ALDH1A1HPGDTDP1CA12CA4
Vanillin SCHEMBL14975994 0.85 ALDH1A1 (0.68) ALDH1A1HPGDTRIM24ALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090169652-A1 Personal Care Compositions THE PROCTER & GAMBLE COMPANY 2009-07-02 — — US disclosed
EP-1940346-A2 COMPOSITION FOR REGULATION OF MAMMALIAN KERATINOUS TISSUE The Procter and Gamble Company (US) 2008-07-09 — — EP disclosed
US-20080095731-A1 Personal Care Compositions Comprising Alpha-Glucans and/or Beta-Glucans PROCTER & GAMBLE COMPANY, THE 2008-04-24 — — US disclosed
US-20080075798-A1 Personal care compositions comprising pear seed extract PROCTER & GAMBLE COMPANY, THE 2008-03-27 — — US disclosed
WO-2008027533-A2 PERSONAL CARE COMPOSITIONS COMPRISING PEAR SEED EXTRACT THE PROCTER & GAMBLE COMPANY (US) 2008-03-06 — — WO disclosed
US-20070196296-A1 Personal care compositions PROCTER & GAMBLE COMPANY, THE 2007-08-23 — — US disclosed
US-20070185038-A1 Regulation of mammalian keratinous tissue using skin care actives THE PROCTER & GAMBLE COMPANY 2007-08-09 — — US disclosed
US-20070183993-A1 Personal care compositions PROCTER & GAMBLE COMPANY, THE 2007-08-09 — — US disclosed
WO-2007041548-A2 COMPOSITION FOR REGULATION OF MAMMALIAN KERATINOUS TISSUE THE PROCTER & GAMBLE COMPANY (US) 2007-04-12 — — WO disclosed
WO-2007001904-A2 PERSONAL CARE COMPOSITIONS COMPRISING ALPHA-GLUCANS AND/OR BETA-GLUCANS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 — — WO disclosed
US-5772909-A Process for separation of vanillin from other chemicals by means of azeotropic distillation with dibenzyl ether and mixtures of vanillin and dibenzyl ether used in such process INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-06-30 — — US disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 — — US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 — — US disclosed
US-5510006-A Process for separation of vanillin by means of azeotropic distillation with dibenzyl ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1996-04-23 — — US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 — — US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 — — US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 — — 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 (6 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-20070196296-A1 Personal care compositions CUTA, C5, F7 ALDH1A1 3550/4885HPGD 1444/4885TRIM24 1291/4885
US-20090169652-A1 Personal Care Compositions CUTA, C5, F7 ALDH1A1 3550/4885HPGD 1444/4885TRIM24 1291/4885
US-20070183993-A1 Personal care compositions PPARG, PPARA, PPARD ALDH1A1 2805/4885HPGD 662/4885TRIM24 1131/4885
US-20080095731-A1 Personal Care Compositions Comprising Alpha-Glucans and/or Beta-Glucans HEXA, TYR, HEXB ALDH1A1 3012/4885HPGD 1021/4885TRIM24 721/4885
US-20080075798-A1 Personal care compositions comprising pear seed extract CUTA, POLR1C, DPM1 ALDH1A1 3508/4885HPGD 3653/4885TRIM24 1277/4885
US-20070185038-A1 Regulation of mammalian keratinous tissue using skin care actives CUTA, KDM7A, KDM2A ALDH1A1 3455/4885HPGD 2220/4885TRIM24 408/4885

“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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