SCHEMBL873066

SCHEMBL873066

CC(C)COC(Cc1ccccc1)OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
TAAR1 Q96RJ0 5/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
MAOA P21397 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
SLC18A2 Q05940 1/20 0.47
CYP2D6 P10635 1/20 0.47
TRPA1 O75762 2/20 0.45
EPHX1 P07099 1/20 0.43
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2608871 0.87 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8555339 0.84 TSHR (0.45) TRPA1
SCHEMBL8555345 0.81 TSHR (0.42) TRPA1
SCHEMBL20471154 0.79 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9417238 0.77 SRR (0.59)
SCHEMBL113325 0.77 TAAR1 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL7493657 0.76 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL57393 0.76 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL2571645 0.76 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18301598 0.75 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-6494716-B1 CONTAINING ACID TO ETCH AND FLAVOR THAT IS STABLE IN ACID Dorn, Alma 2002-12-17 US claimed
EP-3335140-B1 SYSTEMS, APPARATUS, AND METHODS FOR ANALYZING AND PREDICTING CELLULAR PATHWAYS MASSACHUSETTS INST TECHNOLOGY (US) 2025-02-19 EP disclosed
US-20240315961-A1 SEMI-SOLID CHEWABLE COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF SEATTLE GUMMY COMPANY (US) 2024-09-26 US disclosed
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US disclosed
US-20240299292-A1 STABLE SEMI-SOLID CHEWABLE GEL COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF SEATTLE GUMMY COMPANY (US) 2024-09-12 US disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
WO-2006010087-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC THE PROCTER & GAMBLE COMPANY (US) 2006-01-26 WO disclosed
US-20060005333-A1 Roller for providing benefits to fabric PROCTER & GAMBLE COMPANY, THE 2006-01-12 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
US-6494716-B1 CONTAINING ACID TO ETCH AND FLAVOR THAT IS STABLE IN ACID Dorn, Alma 2002-12-17 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-20240315961-A1 SEMI-SOLID CHEWABLE COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF ARG1, TAS2R7, COX15 SIGMAR1 1082/4885TAAR1 3829/4885SLC6A2 4216/4885

“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.