SCHEMBL873248

SCHEMBL873248

CC(OC1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
ADRA1A P35348 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTR1A P08908 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
IDO1 P14902 2/20 0.44
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
DRD2 P14416 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
SCHEMBL7455239 1.00 CHRM2 (0.46) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL7458156 0.98 CHRM2 (0.47) CHRM2ADRA2ACHRM1DRD1SLC6A2
Phenol SCHEMBL28085360 0.90 OPRM1 (0.41) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL6527496 0.87 ADRA2A (0.45) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL16892545 0.81 NPSR1 (0.36) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL3130007 0.81 HRH1 (0.50) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL5011303 0.81 KCNH2 (0.44) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL29117311 0.81 HRH1 (0.50) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL27980669 0.81 ESR1 (0.42) GAAL3MBTL1MAPK1
SCHEMBL18469978 0.80 CHRM1 (0.73) CHRM2ADRA2ACHRM1DRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4246450-A None JP disclosed
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US disclosed
US-20170343898-A1 POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-30 US disclosed
US-20170343898-A1 POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-30 US disclosed
US-9416080-B2 Catalytic C—H bond activation GEORGETOWN UNIVERSITY (US) 2016-08-16 US disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-20150321982-A1 Catalytic C-H Bond Activation NATIONAL SCIENCE FOUNDATION 2015-11-12 US disclosed
US-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-01-08 US disclosed
EP-2813482-A1 METHOD FOR PRODUCING ETHER COMPOUND Takasago International Corporation (JP) 2014-12-17 EP disclosed
EP-2799863-A1 Method to evaluate fragrance compositions The Procter and Gamble Company (US) 2014-11-05 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
JP-H04246450-A POLYMER COMPOSITION MASKING OFFENSIVE SMELL ROHM & HAAS CO 1992-09-02 JP disclosed
EP-0049120-B1 PHENETHYLETHER DERIVATIVES, PROCESS FOR PREPARING SAME AND USES THEREOF IN COMBATTING TOBACCO BEETLES AND IN AUGMENTING OR ENHANCING THE AROMA OF PERFUMES, COLOGNES AND PERFUMED ARTICLES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-01-16 EP disclosed
US-4374746-A Cyclohexyl phenethylether derivatives, process for preparing same and uses thereof in combatting tobacco beetles and in augmenting or enhancing the aroma of perfumes, colognes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-02-22 US disclosed
US-4371715-A ACID CATALYSTS, ETHERIFICATION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-02-01 US disclosed
US-4362657-A Use of cyclohexyl phenethylether derivative in augmenting or enhancing the aromas of perfumes and colognes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-12-07 US disclosed
US-4343791-A ATTRACTANTS AND INSECTICIDES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-08-10 US disclosed
US-4324923-A ENHANCE PERFUME ODOR, COMBAT TOBACCO BEETLES ATTRACTANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-04-13 US disclosed
EP-0049120-A1 Phenethylether derivatives, process for preparing same and uses thereof in combatting tobacco beetles and in augmenting or enhancing the aroma of perfumes, colognes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-04-07 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-20150321982-A1 Catalytic C-H Bond Activation CBR3, CBR1, SOD3 CHRM2 1448/4885ADRA2A 3721/4885CHRM1 1377/4885
US-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND CBR3, CYP2E1, HPD CHRM2 3943/4885ADRA2A 3562/4885CHRM1 4336/4885

“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.