SCHEMBL4456368

SCHEMBL4456368

C1CCCCCC2OCCCC2CCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 1/20 0.37
NOS2 P35228 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL5405253 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21841417 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL482322 0.97 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL47236 0.97 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15196409 0.97 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29246043 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9093899 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL720143 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31290858 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL60113 0.94 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615526-B2 Furanoid and pyranoid C14-C18- oxabicycloalkanones as odoriferous and/or aroma substances SYMRISE GMBH & CO. KG (DE) 2009-11-10 US disclosed
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-09-25 US disclosed
EP-1972632-A1 Oxabicycloalkanones as fragrances Symrise GmbH & Co. KG (DE) 2008-09-24 EP disclosed
US-4496748-A Substituted macrobicyclic ethers, the manufacture and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1985-01-29 US disclosed
US-4496748-A Substituted macrobicyclic ethers, the manufacture and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1985-01-29 US disclosed
EP-0075866-A1 Substituted macrobicyclic ethers, their preparation and use Consortium für elektrochemische Industrie GmbH (DE) 1983-04-06 EP disclosed
EP-0075866-A1 Substituted macrobicyclic ethers, their preparation and use Consortium für elektrochemische Industrie GmbH (DE) 1983-04-06 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 (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-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES CYP19A1, OXER1, AKR1C4 CHRM2 294/4885CHRM4 439/4885CHRM5 445/4885

“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.