SCHEMBL2485364

SCHEMBL2485364

O=C1CCCCCCC#CCCCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.65
TRIM33 Q9UPN9 2/20 0.65
ALDH1A1 P00352 1/20 0.65

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
SCHEMBL10877509 0.97 TRIM24 (0.61) TRIM24TRIM33ALDH1A1
SCHEMBL22164273 0.97 TRIM24 (0.61) TRIM24TRIM33ALDH1A1
SCHEMBL28527341 0.87 TRIM24 (0.48) TRIM24TRIM33ALDH1A1
SCHEMBL23630993 0.83
SCHEMBL1905857 0.80 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL3299 0.80
SCHEMBL7823646 0.80 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL713141 0.80
SCHEMBL112034 0.80 TRIM24 (1.00) TRIM24TRIM33ALDH1A1
SCHEMBL1667004 0.80 TRIM24 (1.00) TRIM24TRIM33ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947078-B1 Novel macrocyclic musk INT FLAVORS & FRAGRANCES INC (US) 2011-10-26 EP disclosed
EP-1947078-B1 Novel macrocyclic musk INT FLAVORS & FRAGRANCES INC (US) 2011-10-26 EP disclosed
US-7838487-B2 Macrocyclic musk INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-23 US disclosed
US-7838487-B2 Macrocyclic musk INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-23 US disclosed
US-7838487-B2 Macrocyclic musk INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-23 US disclosed
EP-1947078-A1 Novel macrocyclic musk INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2008-07-23 EP disclosed
EP-1947078-A1 Novel macrocyclic musk INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2008-07-23 EP disclosed
US-20080171796-A1 7,9-Cyclohexadecadien-1-one; may be in mixture with 8-cyclohexadecenone; perfumes, colognes, toilet waters, cosmetics, cleaning compounds, air fresheners INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-07-17 US disclosed
US-20080171796-A1 7,9-Cyclohexadecadien-1-one; may be in mixture with 8-cyclohexadecenone; perfumes, colognes, toilet waters, cosmetics, cleaning compounds, air fresheners INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-07-17 US disclosed
US-20080171796-A1 7,9-Cyclohexadecadien-1-one; may be in mixture with 8-cyclohexadecenone; perfumes, colognes, toilet waters, cosmetics, cleaning compounds, air fresheners INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-07-17 US disclosed
US-7129380-B2 (Z)-7-cyclohexadecen-1-one as an odorant SYMRISE GMBH & CO. KG (DE) 2006-10-31 US disclosed
US-20050137120-A1 (Z)-7-cyclohexadecen-1-one as an odorant SYMRISE GMBH & CO. KG 2005-06-23 US disclosed
US-4822874-A ENZYMATIC CLEAVAGE OF STARCH IN PRESENCE OF COMPLEXING AGENT CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE, GMBH (DE) 1989-04-18 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 (2 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-20050137120-A1 (Z)-7-cyclohexadecen-1-one as an odorant OR10J3, OR51E2, OPRD1 TRIM24 1603/4885TRIM33 3419/4885ALDH1A1 586/4885
US-20080171796-A1 7,9-Cyclohexadecadien-1-one; may be in mixture with 8-cyclohexadecenone; perfumes, colognes, toilet waters, cosmetics, cleaning compounds, air fresheners OR51E2, OR10J3, COL14A1 TRIM24 4047/4885TRIM33 4608/4885ALDH1A1 462/4885

“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.