SCHEMBL6870669

SCHEMBL6870669

C=CCOC(=O)C(O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.36
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
EPHX1 P07099 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1234256 0.98 ALDH1A1 (0.48) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL10628751 0.85 ALDH1A1 (0.36) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL3917383 0.78 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL296011 0.78 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL27573216 0.78 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL23340705 0.78 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL6686361 0.77 CYP2D6 (0.44) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL6545168 0.77 ALDH1A1 (0.46) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL7748899 0.76 ALDH1A1 (0.37) ALDH1A1GAAMAPTCYP3A4TDP1
SCHEMBL7748902 0.76 ALDH1A1 (0.37) ALDH1A1GAAMAPTCYP3A4TDP1

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-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
EP-1063229-B1 Alpha, beta-unsaturated ketones GIVAUDAN SA (CH) 2003-02-19 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
US-6184419-B1 HAVING A GREEN-GALBANUM, FRESH (METALLIC, UNDECATRIENE TYPE) AND FRUITY-PINEAPPLE AND/OR FRUITY-CASSIS ODOR; AN INTENSE AND LONG LASTING ODOR; PERFUMES; HOUSEHOLD AND LAUNDRY PRODUCTS; COSMETICS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-02-06 US disclosed
EP-1063229-A1 Alpha, beta-unsaturated ketones Givaudan SA (CH) 2000-12-27 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.