SCHEMBL6560209

SCHEMBL6560209

CC(C)=CCCC(C)CCOC(=O)C(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.80
ALDH1A1 P00352 3/20 0.55
NFE2L2 Q16236 1/20 0.46
USP2 O75604 1/20 0.45
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.42
GGPS1 O95749 2/20 0.41
FDPS P14324 2/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL873576 0.93 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL6562507 0.93 ALOX15 (0.75) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL28552794 0.91 ALOX15 (0.73) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL16356747 0.90 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL5596287 0.90 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL1469955 0.90 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2USP2EPHX2
SCHEMBL873826 0.90 ALOX15 (0.71) ALOX15ALDH1A1NFE2L2USP2EPHX2
Citronellyl Acetate SCHEMBL1866109 0.89 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2USP2EPHX2
Citronellyl Acetate SCHEMBL157075 0.89 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2USP2EPHX2
Citronellyl Acetate SCHEMBL20912959 0.89 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2USP2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2024110039-A SLOW-RELEASE FRAGRANCE COMPOUND AND FRAGRANCE COMPOSITION INCLUDING THE SAME 長谷川香料株式会社 2024-08-15 JP disclosed
EP-1082287-B1 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH & CIE (CH) 2004-03-17 EP disclosed
US-6492323-B2 CONTROLLED RELEASE UPON EXPOSURE TO LIGHT FIRMENICH SA (CH) 2002-12-10 US disclosed
US-6369026-B1 FOR USE IN PERFUME OR A COLOGNE, A BATH OR SHOWER GEL, A SHAMPOO, A HAIR SPRAY OR OTHER HAIR-CARE PRODUCT, A COSMETIC PREPARATION, A BODY DEODORANT, A SOLID OR LIQUID AIR-FRESHENER, A DETERGENT OR A FABRIC SOFTENER FIRMENICH SA (CH) 2002-04-09 US disclosed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US disclosed
US-6218355-B1 FOR RELEASING FRAGRANT COMPOUND OR COMPOUNDS IN A CONTROLLED MANNER, MAINTAINING A DESIRED SMELL OVER A PROLONGED PERIOD OF TIME FIRMENICH SA (CH) 2001-04-17 US disclosed
EP-1082287-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH SA (CH) 2001-03-14 EP disclosed
US-6133228-A Slow release of fragrant compounds in perfumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or α-keto esters FIRMENICH SA (CH) 2000-10-17 US disclosed
WO-1999060990-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR α-KETO ESTERS FIRMENICH S.A. (CH) 1999-12-02 WO 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-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FAAH, KHK, FAAH2 ALOX15 265/4885ALDH1A1 122/4885NFE2L2 3503/4885

“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.