SCHEMBL608491

SCHEMBL608491

CCOC(CC)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.36
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8750464 0.83 LMNA (0.45) LMNATAAR1TRPA1MEN1KMT2A
SCHEMBL608345 0.82 LMNA (0.43) LMNATAAR1TRPA1MEN1KMT2A
SCHEMBL608542 0.79 L3MBTL1 (0.41) LMNAL3MBTL1TAAR1TRPA1POLB
SCHEMBL10415946 0.79 L3MBTL1 (0.46) LMNAL3MBTL1TAAR1POLBHTT
SCHEMBL15277287 0.76 TSHR (0.39) LMNAL3MBTL1TAAR1TRPA1POLB
SCHEMBL20012560 0.74 L3MBTL1 (0.44) LMNAL3MBTL1TAAR1POLBHTT
SCHEMBL11982736 0.74 L3MBTL1 (0.44) LMNAL3MBTL1TAAR1POLBHTT
SCHEMBL585596 0.74 L3MBTL1 (0.44) LMNAL3MBTL1TAAR1POLBHTT
SCHEMBL27389987 0.72 LMNA (0.46) LMNAL3MBTL1POLBHTTSCN1A
SCHEMBL3408278 0.72 LMNA (0.46) LMNAL3MBTL1POLBHTTSCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US claimed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US claimed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US claimed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 US claimed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 US disclosed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 US disclosed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 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-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, TRPV1, OR51E2 LMNA 3299/4885L3MBTL1 3149/4885TAAR1 191/4885

“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.