Vanillin

Vanillin

SCHEMBL906447

CCCCOCCCC.COc1cc(C=O)ccc1O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
TRIM24 O15164 1/20 0.71
ALDH5A1 P51649 1/20 0.71
ABAT P80404 1/20 0.71
TRIM33 Q9UPN9 1/20 0.71
AOX1 Q06278 1/20 0.54
XDH P47989 1/20 0.52
FDPS P14324 1/20 0.51
HTR1A P08908 1/20 0.51
TSHR P16473 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2D6 P10635 3/20 0.50
NFE2L2 Q16236 3/20 0.50
CYP1A2 P05177 3/20 0.50
HSD17B10 Q99714 2/20 0.50
PRKCE Q02156 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCD Q05655 2/20 0.50

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 SCHEMBL28696909 0.91 ALDH1A1 (0.59) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14790874 0.87 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL28018768 0.87 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL27673973 0.86 ALDH1A1 (0.89) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2890759 0.85 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL356799 0.85 ALDH1A1 (0.81) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL44060 0.85 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL29354839 0.84 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL1213 0.84 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL720723 0.84 ALDH1A1 (1.00) 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115245529-A Skin penetrating agent and external pain relieving medicine prepared from same 上海幼官健康管理有限公司 2022-10-28 CN claimed
CN-114042098-A Composition for expelling cold, eliminating dampness and relieving pain as well as preparation method and application thereof 蒋东海 2022-02-15 CN claimed
CN-215230476-U Nursing patch 北京永荣达控股集团有限公司 2021-12-21 CN claimed
CN-113754520-A Preparation method of vanillyl alcohol butyl ether 滕州市天水生物科技有限公司 2021-12-07 CN claimed
CN-113398136-A Ointment for relaxing tendons and activating collaterals and preparation method thereof 孟庆峰 2021-09-17 CN claimed
CN-113018220-A Chest essential oil and preparation method thereof 广州美璟生物科技有限公司 2021-06-25 CN claimed
CN-112245338-A Self-heating bath bubble and preparation method thereof 广州环亚化妆品科技有限公司 2021-01-22 CN claimed
CN-110882196-A Soothing vigor cream and preparation method thereof 北京极暖网络科技有限公司 2020-03-17 CN claimed
CN-110680864-A Externally applied moxibustion ointment and preparation method thereof 侯俊杰 2020-01-14 CN claimed
EP-2276356-B1 WARMING SENSATE COMPOSITION FIRMENICH & CIE (CH) 2013-06-19 EP claimed
CN-101155522-B Hot flavour and skin sensation composition FIRMENICH & CIE 2011-08-24 CN claimed
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
US-20110015227-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2011-01-20 US claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
CN-101155522-A Hot flavour and skin sensation composition FIRMENICH & CIE (CH) 2008-04-02 CN claimed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP claimed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US claimed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO claimed
CN-118141751-A Compound lidocaine emulsifiable paste 珠海润都制药股份有限公司 2024-06-07 CN disclosed
EP-1479378-A1 Personal product compositions comprising structured benefit agent pre-mix or delivery vehicle and providing enhanced effect of hydrophobic material seperate from the structured benefit agent UNILEVER PLC (GB) 2004-11-24 EP 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-20110015227-A1 WARMING SENSATE COMPOSITION TAS1R3, TAS2R30, TAS2R50 ALDH1A1 1400/4885HPGD 2745/4885TDP1 2583/4885

“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.