SCHEMBL1028846

SCHEMBL1028846

CCC(C(=O)OC)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
KCNN4 O15554 1/20 0.44
KIF11 P52732 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MMP8 P22894 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL19260219 0.84 CA2 (0.46) KMT2AKCNN4MEN1KDM4ESMN1; SMN2
SCHEMBL4377967 0.82 CYP2C19 (0.46) KMT2AKIF11CYP2C19HIF1AHDAC3
SCHEMBL1829558 0.79 MAPT (0.48) KMT2AKIF11CYP2C19HIF1ACHRM2
SCHEMBL7213724 0.79 KMT2A (0.50) KMT2AKCNN4KIF11CYP2C19HIF1A
SCHEMBL25432602 0.77 KMT2A (0.48) KMT2AKCNN4KIF11CYP2C19HIF1A
SCHEMBL4366561 0.77 KMT2A (0.48) KMT2AKCNN4KIF11CYP2C19HIF1A
SCHEMBL27372942 0.76 KMT2A (0.49) KMT2AMMP8MEN1LMNAL3MBTL1
SCHEMBL7208176 0.76 KMT2A (0.47) KMT2AKCNN4KIF11CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL5356621 0.76 KMT2A (0.47) KMT2AKCNN4KIF11CYP2C19HIF1A
SCHEMBL1527236 0.76 KMT2A (0.47) KMT2AKCNN4KIF11CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024120-A1 FRAGRANCE COMPOSITION AND FOOD OR BEVERAGE 高砂香料工業株式会社 2024-02-01 WO disclosed
CN-103561713-B There is the compositions of the strong degree of effective spice 宝洁公司 2016-11-02 CN disclosed
CN-101611129-B Benefit agent delivery compositions PROCTER & GAMBLE 2014-06-18 CN disclosed
CN-103561713-A Compositions comprising an efficient perfume bloom PROCTER & GAMBLE 2014-02-05 CN disclosed
US-8389466-B2 Use of carboxylic acid esters as a fragrance substance SYMRISE AG (DE) 2013-03-05 US disclosed
EP-2274409-B1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE AG (DE) 2011-10-12 EP disclosed
US-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE AG (DE) 2011-05-05 US disclosed
EP-2274409-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE Symrise AG (DE) 2011-01-19 EP disclosed
EP-1555261-B1 VALEROLACTONE COMPOUNDS AND PERFUME COMPOSITION KAO CORP (JP) 2010-09-01 EP disclosed
CN-101617036-A Benefit agent delivery compositions PROCTER & GAMBLE 2009-12-30 CN disclosed
CN-101611129-A Benefit agent delivery compositions PROCTER & GAMBLE (US) 2009-12-23 CN disclosed
WO-2009124888-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-10-15 WO disclosed
US-7491833-B2 Valerolactone compounds and perfume composition KAO CORPORATION (JP) 2009-02-17 US disclosed
CN-100384727-C Carrier based on granules produced from pyrogenically prepared silicon dioxides DEGUSSA (DE) 2008-04-30 CN disclosed
CN-100374432-C Acetonide fragrance compound INT FLAVORS & FRAGRANCES INC (US) 2008-03-12 CN disclosed
US-20060258559-A1 Valerolactone compounds and perfume composition KAO CORPORATION (JP) 2006-11-16 US disclosed
CN-1835890-A Carrier based on granules produced from pyrogenically prepared silicon dioxides DEGUSSA (DE) 2006-09-20 CN disclosed
EP-1555261-A1 VALEROLACTONE COMPOUNDS AND PERFUME COMPOSITION Kao Corporation (JP) 2005-07-20 EP disclosed
CN-1576360-A Acetonide fragrance compound INT FLAVORS & FRAGRANCES INC (US) 2005-02-09 CN 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-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE FASN, ELOVL5, ALDH16A1 KMT2A 1635/4885KCNN4 3991/4885KIF11 3691/4885

“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.