SCHEMBL608542

SCHEMBL608542

CCOC(C)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
LMNA P02545 2/20 0.40
RIPK1 Q13546 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL10415946 0.83 L3MBTL1 (0.46) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL1030312 0.79 SCN1A (0.39) TAAR1LMNACHRM2HTR1AADRA2A
SCHEMBL27536783 0.79 SLC6A2 (0.47) L3MBTL1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL9233735 0.79 L3MBTL1 (0.39) L3MBTL1TAAR1LMNARIPK1POLB
SCHEMBL608491 0.79 LMNA (0.42) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL15277287 0.79 TSHR (0.39) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL20012560 0.77 L3MBTL1 (0.44) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL11982736 0.77 L3MBTL1 (0.44) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL585596 0.77 L3MBTL1 (0.44) L3MBTL1TAAR1LMNAPOLBCHRM2
SCHEMBL585330 0.77 TAAR1 (0.41) TAAR1LMNAADRA2ACYP2D6ALDH1A1

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 14 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-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 L3MBTL1 3149/4885TAAR1 191/4885LMNA 3299/4885

“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.