Vanillin

Vanillin

SCHEMBL720723

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
HPGD P15428 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
TRIM24 O15164 1/20 1.00
ALDH5A1 P51649 1/20 1.00
ABAT P80404 1/20 1.00
TRIM33 Q9UPN9 1/20 1.00
AOX1 Q06278 1/20 0.72
XDH P47989 1/20 0.69
TSHR P16473 3/20 0.68
TRPA1 O75762 1/20 0.67
TYR P14679 2/20 0.65
NFE2L2 Q16236 3/20 0.64
CYP2D6 P10635 3/20 0.64
ALOX5 P09917 3/20 0.64
CYP1A2 P05177 3/20 0.64
NFKB1 P19838 2/20 0.64
HSD11B1 P28845 2/20 0.64
STAT3 P40763 2/20 0.64
NFKB2 Q00653 2/20 0.64

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 SCHEMBL29354839 1.00 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL1213 1.00 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL19149274 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL19260053 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8854077 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8853913 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL19411839 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL11269339 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL20549709 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4442606 0.98 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110217786-A1 OPTIMIZED TIME TEMPERATURE INDICATOR BIZERBA GMBH & CO. KG (DE) 2011-09-08 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
EP-2269056-A1 OPTIMIZED TIME TEMPERATURE INDICATOR BASF SE (DE) 2011-01-05 EP claimed
US-20100212181-A1 METHODS FOR TREATING FABRIC IN A DRYER THE DIAL CORPORATION (US) 2010-08-26 US claimed
US-20060282914-A1 Targeted dna insertion in plants BASF AGRICULTURAL SOLUTIONS US LLC 2006-12-14 US claimed
WO-2023238600-A1 EGG FLAVORING AGENT, METHOD FOR IMPARTING EGG FLAVOR TO FOODS AND DRINKS, METHOD FOR PRODUCING FOODS AND DRINKS HAVING EGG FLAVOR, AND FOODS AND DRINKS 株式会社J-オイルミルズ 2023-12-14 WO disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
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 disclosed
US-10294335-B2 Preparation method, product and application of non-free radical photo-crosslinked hydrogel material ZHONGSHAN GUANGHE MEDICAL TECHNOLOGY CO., LTD (CN) 2019-05-21 US disclosed
EP-3465198-A1 METHOD OF RESOLVING ALLERGENS IN PERFUME INGREDIENTS Givaudan S.A. (CH) 2019-04-10 EP disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
EP-3325022-A1 WATER-BASED FRAGRANCE COMPOSITION, FRAGRANCE DELIVERY DEVICE, AND METHOD OF PROVIDING A LONG-LASTING SCENT S.C. Johnson & Son, Inc. (US) 2018-05-30 EP disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
WO-2003051375-A1 STABILIZED BRIVUDINE TOPICAL FORMULATIONS MENARINI RICERCHE S.P.A. (IT) 2003-06-26 WO disclosed
US-6245936-B1 MIXING PHENOLIC COMPOUNDS CARRYING FORMYL OR HYDROXYMETHYL GROUP, ONE IN 2 POSITION AND ONE IN 4 POSITION, SELECTIVELY OXIDIZING GROUP IN 2 POSITION TO CARBOXY GROUP, HYDROXYMETHYL GROUP IN 4 POSITION TO FORMYL GROUP, RECOVERING MIXTURE RHODIA CHIMIE (FR) 2001-06-12 US disclosed
US-6184421-B1 SELECTIVE OXIDATION, TO A CARBOXY GROUP, OF THE GROUP IN THE 2 POSITION WITH RESPECT TO THE HYDROXYL GROUPS OF A MIXTURE OF PHENOLS HAVING FORMYL AND/OR HYDROXYMETHYL GROUPS IN POSITIONS 2 OR 4; PREPARING VANILLIN AND ETHYL VANILLIN RHODIA CHIMIE (FR) 2001-02-06 US disclosed
US-5955081-A TREATMENT OF SKIN DISORDERS WITH PLANT EXTRACTS Z-92, INC. 1999-09-21 US disclosed
US-5895657-A MIXTURE WITH ETHYL VANILLIN AND SOLVENT; FOODS, PERFUMES, COSMETICS, AND FLAVORS RHONE-POULENC CHIMIE (FR) 1999-04-20 US disclosed
EP-0561352-A1 Acrylic adhesive composition and organoboron initiator system National Starch and Chemical Investment Holding Corporation (US) 1993-09-22 EP disclosed
US-5128253-A Sufhydryl compound KRAFT GENERAL FOODS, INC. (US) 1992-07-07 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 (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-10294335-B2 Preparation method, product and application of non-free radical photo-crosslinked hydrogel material CUTA, PPOX, KIT ALDH1A1 306/4885HPGD 8/4885TDP1 1930/4885

“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.