SCHEMBL3344644

SCHEMBL3344644

CCC(C)COCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
GPR88 Q9GZN0 4/20 0.33
THRB P10828 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
Propene SCHEMBL27971597 0.90 FFAR1 (0.38) FFAR1MAPTTSHRALDH1A1PTGS1
SCHEMBL25379715 0.80 RNPEP (0.37) TSHRALDH1A1PTGS1CTHCBS
SCHEMBL2952521 0.78
SCHEMBL25612554 0.77 KDM4E (0.35) TSHRALDH1A1PTGS1GLAL3MBTL1
SCHEMBL5196504 0.76
SCHEMBL7908219 0.76 THRB (0.37) TSHRALDH1A1PTGS1GLAL3MBTL1
SCHEMBL20835209 0.76 MAPT (0.41) FFAR1MAPTALDH1A1
SCHEMBL2413470 0.76 TSHR (0.37) TSHRALDH1A1PTGS1GLAL3MBTL1
SCHEMBL14453906 0.76 THRB (0.40) TSHRALDH1A1PTGS1GLAL3MBTL1
SCHEMBL25380461 0.75 TSHR (0.34) TSHRL3MBTL1

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 324 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133645-A1 ANTI-DANDRUFF COMPOSITIONS FIRMENICH SA (CH) 2024-06-27 WO claimed
US-20230392098-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS FIRMENICH SA (CH) 2023-12-07 US claimed
EP-4208527-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS Firmenich SA (CH) 2023-07-12 EP claimed
WO-2022084437-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS FIRMENICH SA (CH) 2022-04-28 WO claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 EP claimed
EP-2049638-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-10-03 EP claimed
EP-2049637-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-05-30 EP claimed
EP-1869150-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-05-30 EP claimed
US-20080108542-A1 Ingredients; hydrocarbons having from 8 to 13 carbon atoms, ethers, aldehydes, esters, nitriles, alcohols, ketones; at least three of the groups must each comprise materials amounting to at least 5% by weight of the perfume composition QUEST INTERNATIONAL SERVICES, B.V. (NL) 2008-05-08 US claimed
EP-1855761-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-11-21 EP claimed
WO-2006095200-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-09-14 WO claimed
CN-119391494-A Essence light stabilizer and liquid detergent composition applied by same 广州立白科技集团有限公司 2025-02-07 CN disclosed
US-20240216246-A1 POWDERY, MUSKY ODORANT MACROCYCLES FIRMENICH & CIE (CH) 2024-07-04 US disclosed
US-20240216885-A1 COACERVATE CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2024-07-04 US disclosed
US-12024690-B2 Method of countering malodour in a washing machine comprising the addition of a fragrance precursor accord comprising 4-(dodecylthio)-4-methylpentan-2-one GIVAUDAN SA (CH) 2024-07-02 US disclosed
US-20080176781-A1 Perfumes for linear citrus release in rinse-off systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2008-07-24 US disclosed
WO-2008017820-A1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-02-14 WO disclosed
US-20060052276-A1 Armoise Tunisian oil, para-t-butylphenylacetonitrile, dihydrolinalol, N-ethyl-N-(3-methylphenyl)propionamide, 4-(5-ethylbicyclo[2.2.1]heptyl-2)-cyclohexanol, ethyltricyclo[5.2.1.0{2,6}]decane-2-carboxylate; inhibiting the biotransformation of androstadienols to androstenones QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-03-09 US disclosed
US-20050233940-A1 Perfume compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2005-10-20 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-20050233940-A1 Perfume compositions SRD5A1, HSD3B1, SRD5A2 FFAR1 2055/4885MAPT 3304/4885TSHR 4460/4885

“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.