SCHEMBL6866876

SCHEMBL6866876

C=C(C)COC(=O)C(=C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 4/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 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
SCHEMBL26927489 0.87 EPHX1 (0.37) EPHX1ALDH1A1CES2CES1
SCHEMBL29117660 0.81 ALDH1A1 (0.49) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL6359904 0.81 ALDH1A1 (0.46) EPHX1ALDH1A1MEN1KMT2ACASP3
SCHEMBL2999018 0.81 ALDH1A1 (0.49) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL29117757 0.81 ALDH1A1 (0.49) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL28225955 0.81 THRB (0.49) EPHX1ALDH1A1CES2CES1HDAC8
SCHEMBL6351424 0.79 ALDH1A1 (0.44) EPHX1ALDH1A1MEN1KMT2ACASP3
SCHEMBL29117857 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHR
SCHEMBL28923333 0.79 HSD17B10 (0.39) EPHX1ALDH1A1CES2CES1HDAC8
SCHEMBL5719878 0.79 EPHX1 (0.35) EPHX1ALDH1A1CES2CES1MEN1

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 EPHX1 1292/4885ALDH1A1 472/4885CES2 1344/4885

“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.