SCHEMBL1613574

SCHEMBL1613574

CCC/C=C\CC(C)CCOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.36
PRKCA P17252 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL1613577 1.00 ALOX15 (0.54) ALOX15ALDH1A1TSHRPRKCALMNA
SCHEMBL31538381 0.90 ALOX15 (0.51) ALOX15ALDH1A1PRKCA
SCHEMBL31538310 0.89 ALOX15 (0.50) ALOX15ALDH1A1PRKCA
SCHEMBL31538327 0.88 ALOX15 (0.49) ALOX15ALDH1A1PRKCA
SCHEMBL31538392 0.88 ALOX15 (0.49) ALOX15ALDH1A1PRKCA
SCHEMBL31538335 0.88 ALOX15 (0.49) ALOX15ALDH1A1PRKCA
SCHEMBL31538353 0.86 ALOX15 (0.53) ALOX15ALDH1A1TSHRLMNAHSD17B10
SCHEMBL31549474 0.84 FAAH (0.39) ALOX15TAS1R3TAS1R1PGR
SCHEMBL7948558 0.79 FFAR1 (0.50) ALOX15ALDH1A1LMNAHSD17B10PGR
SCHEMBL7556359 0.79 FFAR1 (0.50) ALOX15ALDH1A1LMNAHSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344023-B2 2,5-di- and 2,2,5-trisubstituted di- and tetrahydrofuran derivatives and their use for the production of perfumes GIVAUDAN SA (CH) 2013-01-01 US disclosed
EP-2155844-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2012-11-21 EP disclosed
US-8278230-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
EP-2152682-B1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES GIVAUDAN SA (CH) 2011-08-17 EP disclosed
US-20110086793-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-04-14 US disclosed
US-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes GIVAUDAN SA (CH) 2010-07-08 US disclosed
EP-2155844-A2 PERFUME SYSTEMS The Procter and Gamble Company (US) 2010-02-24 EP disclosed
EP-2152682-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES Givaudan SA (CH) 2010-02-17 EP disclosed
US-20080305977-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 US disclosed
WO-2008148236-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES GIVAUDAN SA (CH) 2008-12-11 WO disclosed
WO-2008151273-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 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 (3 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-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes COXFA4, DUOX2, DRD5 ALOX15 756/4885ALDH1A1 733/4885TSHR 4484/4885
US-20110086793-A1 PERFUME SYSTEMS PAOX, PLIN5, PFKFB2 ALOX15 525/4885ALDH1A1 2656/4885TSHR 4682/4885
US-20080305977-A1 PERFUME SYSTEMS PAOX, PLIN5, PFKFB2 ALOX15 525/4885ALDH1A1 2656/4885TSHR 4682/4885

“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.