SCHEMBL6867071

SCHEMBL6867071

C=CCOC(=O)/C(=C/C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 1/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6867072 1.00 ALDH1A1 (0.41) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL6866892 0.86 ALDH1A1 (0.39) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL6866888 0.86 ALDH1A1 (0.39) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL29117803 0.81 ALDH1A1 (0.47) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL11030552 0.81 CES2 (0.46) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL6871297 0.79 ALDH1A1 (0.43) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL5996156 0.78 SLC6A1 (0.31) ALDH1A1GAAMAPTTSHRKMT2A
SCHEMBL29117606 0.78 ALDH1A1 (0.38) ALDH1A1CES2CES1HSD11B1MEN1
SCHEMBL15442983 0.77 ALDH1A1 (0.46) ALDH1A1GAANPSR1CASP1MAPT
SCHEMBL634058 0.77 ALDH1A1 (0.46) ALDH1A1GAANPSR1CASP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311470-B1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2004-11-03 EP disclosed
US-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions GIVAUDAN SA (CH) 2004-02-05 US disclosed
EP-1311470-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2003-05-21 EP disclosed
WO-2002016307-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2002-02-28 WO disclosed
EP-1182190-A1 Unsaturated esters Givaudan SA (CH) 2002-02-27 EP 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-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions ELOVL5, FFAR3, ELOVL1 ALDH1A1 472/4885GAA 1312/4885NPSR1 980/4885

“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.