SCHEMBL502535

SCHEMBL502535

CC(C)CCCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.44
▸ ANPEP P15144 3/20 0.41
▸ RNPEP Q9H4A4 2/20 0.41
▸ DNPEP Q9ULA0 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.37
▸ SLC1A2 P43004 3/20 0.37
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A1 P43005 2/20 0.37
▸ RARB P10826 1/20 0.36
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 2/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ PHF8 Q9UPP1 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPA1 O75762 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
SCHEMBL18347411 0.93 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL19166196 0.93 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL12551467 0.93 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL30177052 0.91 SLC7A5 (0.37) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL7647620 0.91 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL14095412 0.87 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL15681558 0.86 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPNOD1
SCHEMBL1479592 0.86 NAAA (0.48) SLC7A5NOD1GRIK1GRIK2NAAA
SCHEMBL7781924 0.86 NAAA (0.48) SLC7A5NOD1GRIK1GRIK2NAAA
SCHEMBL10824102 0.86 NAAA (0.48) SLC7A5NOD1GRIK1GRIK2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126251-A1 COMPOSITIONS CONTAINING NEUTRALIZED AMINO ACID ESTERS AND GLYCERIDES Stepan Company (US) 2023-02-08 — — EP claimed
US-20230030812-A1 Compositions Containing Neutralized Amino Acid Esters and Glycerides STEPAN CO (US) 2023-02-02 — — US claimed
WO-2021195424-A1 COMPOSITIONS CONTAINING NEUTRALIZED AMINO ACID ESTERS AND GLYCERIDES STEPAN COMPANY (US) 2021-09-30 — — WO claimed
EP-2449083-B9 NON-PETROCHEMICALLY DERIVED CATIONIC EMULSIFIERS THAT ARE NEUTRALIZED AMINO ACID ESTERS AND RELATED COMPOSITIONS AND METHODS INOLEX INVESTMENT CORP (US) 2018-04-25 — — EP claimed
EP-2449083-B1 NON-PETROCHEMICALLY DERIVED CATIONIC EMULSIFIERS THAT ARE NEUTRALIZED AMINO ACID ESTERS AND RELATED COMPOSITIONS AND METHODS INOLEX INVESTMENT CORP (US) 2017-11-01 — — EP claimed
WO-2013150044-A2 COSMETIC COMPOSITION COMPRISING A SPECIFIC ESSENTIAL OIL AND AN ESTER OF AN AMINO ACID AND OF A FATTY ALCOHOL L'OREAL (FR) 2013-10-10 — — WO claimed
US-20230372226-A1 HAIR CONDITIONER COMPOSITIONS CONTAINING NON-SILICONE CONDITIONING AGENTS THE PROCTER & GAMBLE COMPANY 2023-11-23 — — US disclosed
WO-2023225039-A1 HAIR CONDITIONER COMPOSITIONS CONTAINING NON-SILICONE CONDITIONING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2023-11-23 — — WO disclosed
EP-3795669-B1 NON-PETROCHEMICALLY DERIVED CATIONIC EMULSIFIERS THAT ARE NEUTRALIZED AMINO ACID ESTERS AND RELATED COMPOSITIONS AND METHODS INOLEX INVESTMENT CORP (US) 2023-10-25 — — EP disclosed
EP-4126251-A1 COMPOSITIONS CONTAINING NEUTRALIZED AMINO ACID ESTERS AND GLYCERIDES Stepan Company (US) 2023-02-08 — — EP disclosed
US-20230030812-A1 Compositions Containing Neutralized Amino Acid Esters and Glycerides STEPAN CO (US) 2023-02-02 — — US disclosed
US-RE48770-E1 Non-petrochemically derived cationic emulsifiers that are neutralized amino acid esters and related compositions and methods INOLEX INVESTMENT CORPORATION (US) 2021-10-12 — — US disclosed
WO-2021195424-A1 COMPOSITIONS CONTAINING NEUTRALIZED AMINO ACID ESTERS AND GLYCERIDES STEPAN COMPANY (US) 2021-09-30 — — WO disclosed
EP-2449083-B1 NON-PETROCHEMICALLY DERIVED CATIONIC EMULSIFIERS THAT ARE NEUTRALIZED AMINO ACID ESTERS AND RELATED COMPOSITIONS AND METHODS INOLEX INVESTMENT CORP (US) 2017-11-01 — — EP disclosed
WO-2013150044-A2 COSMETIC COMPOSITION COMPRISING A SPECIFIC ESSENTIAL OIL AND AN ESTER OF AN AMINO ACID AND OF A FATTY ALCOHOL L'OREAL (FR) 2013-10-10 — — WO disclosed
US-8287844-B2 Non-petrochemically derived cationic emulsifiers that are neutralized amino acid esters and related compositions and methods INOLEX INVESTMENT CORPORATION (US) 2012-10-16 — — US disclosed
EP-2449083-A1 NON-PETROCHEMICALLY DERIVED CATIONIC EMULSIFIERS THAT ARE NEUTRALIZED AMINO ACID ESTERS AND RELATED COMPOSITIONS AND METHODS Inolex Investment Corporation (US) 2012-05-09 — — EP disclosed
US-8105569-B2 Non-petrochemically derived cationic emulsifiers that are neutralized amino acid esters and related compositions and methods INOLEX INVESTMENT CORPORATION (US) 2012-01-31 — — US disclosed
US-20110274641-A1 Non-Petrochemically Derived Cationic Emulsifiers That Are Neutralized Amino Acid Esters and Related Compositions and Methods INOLEX INVESTMENT CORPORATION (US) 2011-11-10 — — US disclosed
US-20100330004-A1 Non-Petrochemically Derived Cationic Emulsifiers That are Neutralized Amino Acid Esters and Related Compositions and Methods INOLEX INVESTMENT CORPORATION (US) 2010-12-30 — — 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 (4 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-20230372226-A1 HAIR CONDITIONER COMPOSITIONS CONTAINING NON-SILICONE CONDITIONING AGENTS DNER, DSG1, CUTA SLC7A5 459/4885ANPEP 3951/4885RNPEP 4526/4885
US-20110274641-A1 Non-Petrochemically Derived Cationic Emulsifiers That Are Neutralized Amino Acid Esters and Related Compositions and Methods POLR1C, CUTA, FFAR1 SLC7A5 95/4885ANPEP 289/4885RNPEP 1627/4885
US-20230030812-A1 Compositions Containing Neutralized Amino Acid Esters and Glycerides CUTA, GLMN, NGLY1 SLC7A5 385/4885ANPEP 21/4885RNPEP 567/4885
US-20100330004-A1 Non-Petrochemically Derived Cationic Emulsifiers That are Neutralized Amino Acid Esters and Related Compositions and Methods POLR1C, CUTA, FFAR1 SLC7A5 95/4885ANPEP 289/4885RNPEP 1627/4885

“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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