SCHEMBL872678

SCHEMBL872678

CCC(=O)OC(C)(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
MRGPRX2 Q96LB1 1/20 0.51
CHRM3 P20309 1/20 0.51
HRH2 P25021 1/20 0.51
HTR2A P28223 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRK1 P41145 1/20 0.51
CTSK P43235 2/20 0.49
MMP8 P22894 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL27484992 0.97 CTSK (0.50) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL273935 0.86 CTSK (0.50) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL3833989 0.86 TSHR (0.51) CTSKSMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL27893238 0.84 KCNH2 (0.50) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL5556046 0.84 CYP3A4 (0.49) CTSKMMP8SMN1; SMN2HIF1ASLC6A2
SCHEMBL1003604 0.83 CTSK (0.49) CTSKMMP8SMN1; SMN2HIF1ASLC6A2
SCHEMBL1003605 0.83 CTSK (0.49) CTSKMMP8SMN1; SMN2HIF1ASLC6A2
SCHEMBL8924313 0.83 CTSK (0.47) CTSKMMP8SMN1; SMN2HIF1ASLC6A2
SCHEMBL20349661 0.83 CTSK (0.47) CTSKMMP8SMN1; SMN2HIF1ASLC6A2
Hydrochloric Acid SCHEMBL27976122 0.83 OPRM1 (0.51) KCNH2OPRM1OPRD1MRGPRX2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-106457273-B Flush dispenser for delivering a consistent consumer experience 宝洁公司 2019-05-07 CN disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
CN-107921453-A For distributing the distributor of microcapsules 宝洁公司 2018-04-17 CN disclosed
CN-107249545-A Composition providing delayed release of active substances 诺赛尔股份有限公司 2017-10-13 CN disclosed
CN-107107019-A It is coated microcapsules 宝洁公司 2017-08-29 CN disclosed
CN-107001979-A Coated microcapsules 宝洁公司 2017-08-01 CN disclosed
CN-106999896-A Coated microcapsules 宝洁公司 2017-08-01 CN disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-106999895-A It is coated microcapsules 宝洁公司 2017-08-01 CN disclosed
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
US-20120165552-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-28 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
CN-102257119-A Perfume system PROCTER & GAMBLE 2011-11-23 CN disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
CN-1261786-A Ferfumed compositions and method for reducing body odors and excess moisture PROCTER & GAMBLE (US) 2000-08-02 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-20120165552-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME OR10J3, TAS2R40, CUTA KCNH2 219/4885OPRM1 353/4885OPRD1 226/4885

“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.