SCHEMBL585113

SCHEMBL585113

COc1ccccc1CCCOCCCc1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
KCNH2 Q12809 1/20 0.51
MPO P05164 1/20 0.51
IDO1 P14902 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ABCB1 P08183 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL9190330 0.88 TAAR1 (0.64) TAAR1BCHEACHESIGMAR1AOC3
SCHEMBL7831226 0.87 TAAR1 (0.69) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL9574177 0.85 BCHE (0.56) TAAR1BCHEACHESIGMAR1AOC3
SCHEMBL28858018 0.83 TAAR1 (0.75) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL29368559 0.82 TAAR1 (0.62) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL144885 0.82 TAAR1 (0.62) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL4610159 0.81 TSHR (0.47) TAAR1SIGMAR1KCNH2HRH3
SCHEMBL5610284 0.80 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL7745016 0.80 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2MPO
SCHEMBL80578 0.80 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP disclosed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US disclosed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 TAAR1 2219/4885BCHE 4483/4885ACHE 2686/4885

“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.