SCHEMBL6560786

SCHEMBL6560786

CCC(COC(=O)C(C)=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCA P17252 1/20 0.30

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
SCHEMBL14511610 0.84 TSHR (0.62) TSHRALDH1A1
SCHEMBL25787088 0.82 TSHR (0.39) TSHR
SCHEMBL4420666 0.76 TSHR (0.41) TSHRGLO1ALDH1A1LMNAHSD17B10
SCHEMBL1373745 0.75 TSHR (0.67) TSHRGLO1ALDH1A1LMNAHSD17B10
SCHEMBL28291062 0.74 TSHR (0.38) TSHRALDH1A1HSD17B10
SCHEMBL12691690 0.74 TSHR (0.39) TSHRGLO1ALDH1A1LMNAHSD17B10
SCHEMBL28237112 0.72 MGAM (0.37) TSHRALDH1A1PRKCA
SCHEMBL25787085 0.71 TSHR (0.41) TSHR
SCHEMBL23494167 0.71 TSHR (0.60) TSHRALDH1A1
SCHEMBL20149743 0.71 PRKCA (0.37) PRKCA

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
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 claimed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US claimed
CN-1302286-A Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters FIRMENICH & CIE (CH) 2001-07-04 CN claimed
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 claimed
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 claimed
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 claimed
CN-1160306-C Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters 2004-08-04 CN 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-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US disclosed
CN-1302286-A Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters FIRMENICH & CIE (CH) 2001-07-04 CN 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
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 TSHR 4049/4885GLO1 1049/4885ALDH1A1 122/4885

“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.