SCHEMBL873359

SCHEMBL873359

CC1(C)COC(C)(c2ccccc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
SLC6A2 P23975 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SIRT1 Q96EB6 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33

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
SCHEMBL27997710 0.83 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL1664714 0.81 TSHR (0.47) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9876519 0.79 POLB (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL27685257 0.78 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3995603 0.78 TAAR1 (0.43) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9709000 0.78 AKR1C1 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL14306895 0.77 CYP1A2 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5616835 0.77 CYP1A2 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL992385 0.77 CHRNA1 (0.49) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9315392 0.75 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
US-8609600-B2 Encapsulation of bulky fragrance molecules TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-17 US claimed
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
EP-2832441-B1 MICROCAPSULES TAKASAGO PERFUMERY CO LTD (JP) 2019-09-11 EP disclosed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
CN-105431225-B Microcapsule 高砂香料工业株式会社 2018-06-08 CN disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-9895297-B2 Microcapsules TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 US disclosed
EP-3031496-B1 RINSE-OFF COSMETIC COMPOSITIONS TAKASAGO PERFUMERY CO LTD (JP) 2018-01-31 EP 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
US-20160206522-A1 MICROCAPSULES TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-07-21 US disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO 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-20080176780-A1 ENCAPSULATION OF BULKY FRAGRANCE MOLECULES TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1894603-A1 Encapsulation of bulky fragrance molecules Takasago International Corporation (JP) 2008-03-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160206522-A1 MICROCAPSULES MITF, PLIN5, MLEC CHRNB2 3716/4885SLC6A2 4853/4885CHRNB4 3589/4885
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CHRNB2 2136/4885SLC6A2 4255/4885CHRNB4 2325/4885

“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.