SCHEMBL5677787

SCHEMBL5677787

CCC/C=C/C(O)CCCCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
TRPA1 O75762 1/20 0.57
DDAH1 O94760 1/20 0.57
GAPDH P04406 1/20 0.57
PPARG P37231 2/20 0.50
GPR132 Q9UNW8 1/20 0.50
LTB4R2 Q9NPC1 2/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LTB4R Q15722 1/20 0.44
CETP P11597 1/20 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
SCHEMBL5677791 1.00 MAPT (0.57) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL11857531 0.98 MAPT (0.55) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL11857537 0.98 MAPT (0.55) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL11200210 0.93 ACHE (0.53) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL11200212 0.93 ACHE (0.53) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL29169716 0.91 PPARG (0.58) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL11855470 0.89 PPARG (0.61) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL812291 0.89 PPARG (0.61) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL2264995 0.89 PPARG (0.61) MAPTTRPA1DDAH1GAPDHPPARG
SCHEMBL9648002 0.89 PPARG (0.61) MAPTTRPA1DDAH1GAPDHPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479739-B2 Cyclic oxy ether compounds as perfuming ingredients FIRMENICH SA (CH) 2022-10-25 US disclosed
EP-4022017-A1 COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF RAW MATERIAL MALODOURS IN SOAP BASES Firmenich SA (CH) 2022-07-06 EP disclosed
CN-114401974-A Process for preparing alkoxy-functional organosilicon compounds 美国陶氏有机硅公司 2022-04-26 CN disclosed
CN-114375314-A Process for preparing alkoxy-functional organosiloxane compounds 美国陶氏有机硅公司 2022-04-19 CN disclosed
WO-2021122045-A1 COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF RAW MATERIAL MALODOURS IN SOAP BASES FIRMENICH SA (CH) 2021-06-24 WO disclosed
EP-3749281-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION Expressions Parfumees (FR) 2020-12-16 EP disclosed
WO-2019154892-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION EXPRESSIONS PARFUMÉES (FR) 2019-08-15 WO disclosed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP disclosed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO disclosed
US-4948781-A ETHERS AND MIXED ACETALS GIVAUDAN CORPORATION (US) 1990-08-14 US 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-11479739-B2 Cyclic oxy ether compounds as perfuming ingredients CBR3, CYP2E1, CBR1 MAPT 3811/4885TRPA1 435/4885DDAH1 2742/4885

“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.