SCHEMBL3241738

SCHEMBL3241738

CCCC(Cc1ccc(O)c(OC)c1)OC(CCC)Cc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
PTGS1 P23219 1/20 0.49
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
CYP3A4 P08684 3/20 0.47
MMP1 P03956 1/20 0.47
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LDHA P00338 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C8 P10632 2/20 0.43

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
SCHEMBL1013497 0.94 PTGS1 (0.54) LTA4HPTGS1JUNNR3C1ALOX15
Acetic Acid SCHEMBL3241741 0.89 FOS (0.55) LTA4HFOSTTRJUNNR3C1
SCHEMBL676400 0.88 FOS (0.62) PTGS1FOSTTRJUNNR3C1
SCHEMBL1874328 0.86 LTA4H (0.65) LTA4HPTGS1CYP3A4ALOX15TSHR
SCHEMBL4640485 0.83 FOS (0.73) PTGS1FOSTTRJUNNR3C1
SCHEMBL431138 0.81 LTA4H (0.59) LTA4HPTGS1CYP3A4ALDH1A1GAA
SCHEMBL3146879 0.81 FOS (0.60) LTA4HFOSTTRJUNNR3C1
Ether SCHEMBL3241733 0.80 FOS (0.50) LTA4HFOSTTRJUNNR3C1
SCHEMBL21402299 0.80 ALOX15 (0.62) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3157908 0.79 HTR1A (0.62) LTA4HFOSTTRJUNNR3C1

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 LTA4H 256/4885PTGS1 677/4885FOS 646/4885

“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.