Vanillyl Alcohol

Vanillyl Alcohol

SCHEMBL4387217

CC(C)CCOCCC(C)C.COc1cc(CO)ccc1O.O=P(O)(O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Vanillyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.43
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
CYP3A4 P08684 3/20 0.48
MMP1 P03956 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
Vanillyl Alcohol SCHEMBL580130 0.93 FOS (0.56) FOSTTRJUNNR3C1HSD17B1
Vanillyl Alcohol SCHEMBL4396135 0.83 CYP1A2 (0.50) CYP3A4TSHRCYP1A2CYP2D6CYP2C9
Vanillyl Alcohol SCHEMBL4383901 0.81 CYP1A2 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31512861 0.81 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL580129 0.81 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
Alcohol SCHEMBL580127 0.80 FOS (0.54) FOSTTRJUNNR3C1HSD17B1
Vanillyl Alcohol SCHEMBL116331 0.79 FOS (0.59) FOSTTRJUNNR3C1HSD17B1
Vanillyl Alcohol SCHEMBL34465499 0.79 TSHR (0.54) FOSTTRJUNNR3C1HSD17B1
Vanillyl Alcohol SCHEMBL62348 0.78 TAAR1 (0.67) FOSTTRJUNNR3C1HSD17B1
Vanillyl Alcohol SCHEMBL29408335 0.78 TAAR1 (0.67) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160734-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2021-11-02 US disclosed
EP-2720666-B1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
US-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2017-11-02 US disclosed
US-9675531-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2017-06-13 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-9271912-B2 Personal care compositions comprising a pH tuneable gellant and methods of using THE PROCTER & GAMBLE COMPANY (US) 2016-03-01 US disclosed
EP-2720666-A2 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES The Procter and Gamble Company (US) 2014-04-23 EP disclosed
EP-2717966-A2 PERSONAL CARE COMPOSITIONS COMPRISING A DI-AMIDO GELLANT AND METHODS OF USING The Procter and Gamble Company (US) 2014-04-16 EP disclosed
EP-2717967-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING The Procter & Gamble Company (US) 2014-04-16 EP disclosed
US-20130336902-A1 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using FERNANDEZ PRIETO SUSANA (ES) 2013-12-19 US disclosed
US-20130336903-A1 Personal Care Compositions Comprising a pH Tuneable Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2013-12-19 US disclosed
US-20130039961-A1 Personal Care Compositions Comprising Shaped Abrasive Particles THE PROCTER & GAMBLE COMPANY 2013-02-14 US disclosed
WO-2012177757-A2 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO disclosed
WO-2012174091-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING THE PROCTER & GAMBLE COMPANY (US) 2012-12-20 WO disclosed
WO-2012174096-A2 PERSONAL CARE COMPOSITIONS COMPRISING A DI-AMIDO GELLANT AND METHODS OF USING THE PROCTER & GAMBLE COMPANY (US) 2012-12-20 WO disclosed
EP-2120843-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE The Procter and Gamble Company (US) 2009-11-25 EP disclosed
US-20090017080-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE THE PROCTER & GAMBLE COMPANY 2009-01-15 US disclosed
WO-2008112964-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE THE PROCTER & GAMBLE COMPANY (US) 2008-09-18 WO disclosed
EP-0837862-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-04-29 EP disclosed
WO-1997002273-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-01-23 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 (5 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-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES POLR1C, PLOD3, C9 ADRB2 3360/4885FOS 4795/4885TTR 221/4885
US-11160734-B2 Personal care compositions comprising shaped abrasive particles POLR1C, PLOD3, C9 ADRB2 3360/4885FOS 4795/4885TTR 221/4885
US-20130336903-A1 Personal Care Compositions Comprising a pH Tuneable Gellant and Methods of Using ARGLU1, F12, GALR1 ADRB2 3471/4885FOS 4762/4885TTR 588/4885
US-20130336902-A1 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using PARN, PARG, CUTA ADRB2 3340/4885FOS 4322/4885TTR 685/4885
US-20130039961-A1 Personal Care Compositions Comprising Shaped Abrasive Particles POLR1C, PLOD3, C9 ADRB2 3360/4885FOS 4795/4885TTR 221/4885

“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.