Ether

Ether

SCHEMBL3241733

CCCC(Cc1ccc(O)c(OC)c1)OC(C)=O.CCOCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
CYP3A4 P08684 4/20 0.48
MMP1 P03956 1/20 0.48
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C8 P10632 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2B6 P20813 3/20 0.44

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
Acetic Acid SCHEMBL3241741 0.83 FOS (0.55) FOSTTRJUNNR3C1HSD17B1
SCHEMBL676400 0.81 FOS (0.62) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3241738 0.80 LTA4H (0.49) FOSTTRJUNNR3C1HSD17B1
SCHEMBL8231014 0.76 ADRB2 (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29291131 0.75 FOS (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL23370749 0.74 HTR1A (0.62) CYP3A4TRPV1CYP1A2CYP2C8CYP2C9
SCHEMBL30065179 0.74 HTR1A (0.62) CYP3A4TRPV1CYP1A2CYP2C8CYP2C9
SCHEMBL8236669 0.74 HTR1A (0.62) CYP3A4TRPV1CYP1A2CYP2C8CYP2C9
SCHEMBL23370809 0.74 HTR1A (0.62) CYP3A4TRPV1CYP1A2CYP2C8CYP2C9
SCHEMBL17179818 0.74 ALDH1A1 (0.56) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896557-B1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2010-05-05 EP claimed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US claimed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP claimed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 WO claimed
EP-1896557-B1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2010-05-05 EP disclosed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US disclosed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP disclosed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 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-20090275669-A1 Flavor and fragrance composition TAS2R40, TAS2R1, TAS2R50 FOS 646/4885TTR 2777/4885JUN 1505/4885

“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.