SCHEMBL15047640

SCHEMBL15047640

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.56
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL3249203 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3249208 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL28184751 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL29977697 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL29978075 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL5034548 0.98 NOD1 (0.55) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3802336 0.98 NOD1 (0.54) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3802334 0.98 NOD1 (0.54) NOD1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL28060916 0.97 GPR84 (0.55) NOD1GPR84PPARGPPARDPPARA
SCHEMBL24712636 0.93 NOD1 (0.51) NOD1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211107-A1 COMPOSITIONS CONTAINING DIALKYL AMINO ACID ESTER SALTS Stepan Company (US) 2023-07-19 EP claimed
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN claimed
WO-2022056366-A1 COMPOSITIONS CONTAINING DIALKYL AMINO ACID ESTER SALTS STEPAN COMPANY (US) 2022-03-17 WO claimed
CN-115135307-B Cell delivery vehicle 株式会社ITO 2024-11-22 CN disclosed
CN-114401706-B Cosmetic containing powder 株式会社高丝 2024-10-29 CN disclosed
CN-113574096-B Hydrophobic alginic acid particle group and method for producing the same 日清纺控股株式会社 2024-05-28 CN disclosed
CN-117425463-A Water-in-oil emulsion composition 花王株式会社 2024-01-19 CN disclosed
WO-2024006701-A1 METHOD FOR MAKING DIALKYL AMINO ACID ESTER SULFONATES STEPAN COMPANY (US) 2024-01-04 WO disclosed
CN-110317350-B Tackifying resin emulsion and aqueous adhesive/adhesive composition 荒川化学工业株式会社 2023-11-21 CN disclosed
US-20230242475-A1 Compositions Containing Dialkyl Amino Acid Ester Salts STEPAN CO (US) 2023-08-03 US disclosed
EP-4211107-A1 COMPOSITIONS CONTAINING DIALKYL AMINO ACID ESTER SALTS Stepan Company (US) 2023-07-19 EP disclosed
CN-116406245-A Carbonated aerosol skin external preparation 花王株式会社 2023-07-07 CN disclosed
CN-116322605-A Water-in-oil type emulsified cosmetic material 株式会社高丝 2023-06-23 CN disclosed
CN-115698186-A Marine biodegradation accelerator 日清纺控股株式会社 2023-02-03 CN disclosed
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN disclosed
WO-2022056366-A1 COMPOSITIONS CONTAINING DIALKYL AMINO ACID ESTER SALTS STEPAN COMPANY (US) 2022-03-17 WO disclosed
CN-113710226-A Cosmetic material 陶氏东丽株式会社 2021-11-26 CN disclosed
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 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 (2 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-20230242475-A1 Compositions Containing Dialkyl Amino Acid Ester Salts DGKA, MGLL, DGKG NOD1 4879/4885GPR84 289/4885PPARG 1232/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885GPR84 225/4885PPARG 1063/4885

“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.