SCHEMBL6869874

SCHEMBL6869874

C=CCOC(=O)C(=C)C1CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
MIF P14174 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.31
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
SCHEMBL472089 0.84 MIF (0.43) ALDH1A1ALOX15MIFPOLBTSHR
SCHEMBL3432496 0.81 KMT2A (0.38) ALDH1A1POLBTSHRMAPK1MEN1
SCHEMBL6901980 0.77 TDP1 (0.42) ALDH1A1ALOX15MIFTSHRMEN1
SCHEMBL6871297 0.77 ALDH1A1 (0.43) ALDH1A1POLBTSHRMAPK1MEN1
SCHEMBL3784429 0.75 TSHR (0.40) ALDH1A1ALOX15MIFPOLBTSHR
SCHEMBL472054 0.75 MIF (0.39) ALDH1A1ALOX15MIFPOLBTSHR
SCHEMBL3780920 0.74 TSHR (0.46) ALDH1A1POLBTSHRMAPK1MEN1
SCHEMBL29203772 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15POLBTSHRMAPK1
SCHEMBL9723415 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15MIFPOLBMEN1
SCHEMBL6872777 0.72 TSHR (0.35) ALDH1A1TSHRKMT2ACYP3A4GAA

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 472/4885ALOX15 14/4885MIF 4614/4885

“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.