SCHEMBL1027173

SCHEMBL1027173

CCC=CCCCC(CC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP19A1 P11511 4/20 0.47
▸ F7 P08709 3/20 0.47
▸ F3 P13726 3/20 0.47
▸ PPARG P37231 3/20 0.47
▸ OXER1 Q8TDS5 3/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ RXRA P19793 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ MAPT P10636 4/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NR1I2 O75469 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4683751 1.00 CA2 (0.59) CA2MAPK1ALDH1A1CYP19A1F7
Hydrochloric Acid SCHEMBL28412481 0.98 CA2 (0.57) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL28388465 0.95 ALDH1A1 (0.56) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL4585139 0.94 CA2 (0.57) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL4585143 0.94 CA2 (0.57) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL28945181 0.93 CA2 (0.55) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL19856371 0.93 CA2 (0.55) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL3216717 0.90 ALDH1A1 (0.56) CA2MAPK1ALDH1A1CYP19A1F7
SCHEMBL15636724 0.89 CA2 (0.64) CA2MAPK1F7F3MAPT
SCHEMBL15636725 0.89 CA2 (0.64) CA2MAPK1F7F3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315746-B Tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2022-11-29 — — CN claimed
CN-111315746-A Novel tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2020-06-19 — — CN claimed
EP-2572579-B1 Compositions for attracting Tortricidae (fruit moths) BIOFORSK (NO) 2014-04-23 — — EP claimed
EP-2572579-A1 Composition useful in pest control Bioforsk (NO) 2013-03-27 — — EP claimed
EP-4298078-A1 ODOROUS COMPOUNDS AND METHOD OF PREPARATION THEREOF S. H. Kelkar and Company Limited (IN) 2024-01-03 — — EP disclosed
US-20230257679-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LIMITED (IN) 2023-08-17 — — US disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 — — CN disclosed
EP-4188914-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H Kelkar and Company Limited (IN) 2023-06-07 — — EP disclosed
US-11661565-B2 Odorous acetals of ethyl vanillin and ethyl vanillin derivatives S H KELKAR & COMPANY LIMITED 2023-05-30 — — US disclosed
US-20230141482-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2023-05-11 — — US disclosed
US-20230089094-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LTD (IN) 2023-03-23 — — US disclosed
EP-4136067-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H Kelkar and Company Limited (IN) 2023-02-22 — — EP disclosed
US-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE AG (DE) 2011-05-05 — — US disclosed
EP-2274409-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE Symrise AG (DE) 2011-01-19 — — EP disclosed
WO-2009124888-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-10-15 — — WO disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 — — US disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 — — EP disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 — — WO disclosed
US-4526798-A Mixtures of one or more C4 -C10 -n-alkanoic acids with the ethyl ester of 2-hydroxy-4-methyl pentanoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-02 — — US disclosed
US-4499114-A UPGRADING ORGANOLEPTIC PROPERTIES TO SIMULATE RIPENESS; BEVERAGES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-12 — — 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 (6 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-11661565-B2 Odorous acetals of ethyl vanillin and ethyl vanillin derivatives TAS2R8, CREBBP, TAS2R5 CA2 1792/4885MAPK1 4837/4885ALDH1A1 426/4885
US-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE FASN, ELOVL5, ALDH16A1 CA2 428/4885MAPK1 3114/4885ALDH1A1 9/4885
US-20230089094-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS CDY1; CDY1B, ENY2, DPY30 CA2 841/4885MAPK1 3096/4885ALDH1A1 629/4885
US-20230257679-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS TAS2R5, OR51E2, TAS2R4 CA2 3734/4885MAPK1 4027/4885ALDH1A1 61/4885
US-20230141482-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS CDY1; CDY1B, ACMSD, ADH5 CA2 2091/4885MAPK1 3686/4885ALDH1A1 14/4885
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 CA2 626/4885MAPK1 3068/4885ALDH1A1 3408/4885

“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.

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