SCHEMBL609266

SCHEMBL609266

COC(C)C(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL25039979 1.00 THRB (0.42) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL18567152 0.82 THRB (0.38) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL585330 0.82 TAAR1 (0.41) TAAR1ALDH1A1ADRA2AADRA2CCYP2D6
SCHEMBL14763900 0.80 THRB (0.52) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL21821339 0.80 THRB (0.52) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL113399 0.80 THRB (0.52) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL25082860 0.80 THRB (0.42) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL14225206 0.80 THRB (0.57) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL680661 0.80 THRB (0.57) THRBKMT2ATAAR1ALDH1A1EPHX1
SCHEMBL14685170 0.78 TSHR (0.46) THRBKMT2ATAAR1ALDH1A1EPHX1

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
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
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
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP 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-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 THRB 2880/4885KMT2A 2307/4885TAAR1 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.