SCHEMBL459434

SCHEMBL459434

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HSP90AA1 P07900 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
FAAH O00519 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
MAPK1 P28482 1/20 0.40
FABP3 P05413 5/20 0.39

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
SCHEMBL1309808 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL3720030 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL139532 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL420549 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL43085 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL418327 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL458992 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL1311278 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL1310843 1.00 ALDH1A1 (0.47) ALDH1A1HRH3HSP90AA1CPT2CPT1A
SCHEMBL1309574 0.98 ALDH1A1 (0.49) ALDH1A1HRH3HSP90AA1CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181518-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-15 US claimed
US-11382890-B2 Prevention of rosacea inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-12 US claimed
US-20200215023-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-09 US claimed
US-20180221331-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-09 US claimed
EP-2061310-B1 FOAMABLE SANITIZING COMPOSITIONS KIMBERLY CLARK CO (US) 2016-07-27 EP claimed
EP-1391193-B1 Silicone-in-water emulsion comprising specific polyether-polydimethylsiloxane copolymer BEIERSDORF AG (DE) 2007-01-03 EP claimed
EP-1076554-B1 CLEAR PERSONAL CARE FORMULATIONS CONTAINING QUATERNARY AMMONIUM COMPOUNDS AND OTHER NITROGEN-CONTAINING COMPOUNDS GOLDSCHMIDT CHEMICAL COMPANY (US) 2004-10-13 EP claimed
EP-1011624-B1 PHOTOPROTECTANT COSMETIC COMPOSITION CONTAINING AN ANIONIC SURFACTANT, COMPOSITIONS FILTERING ULTRAVIOLET RADIATION AND AN AMPHIPHILIC CATIONIC OR DIPOLAR ION COMPOUND AND ITS USE OREAL (FR) 2003-11-12 EP claimed
JP-61069713-A None JP disclosed
WO-2024135543-A1 COMPOSITION COMPRISING MODIFIED STARCH, C13-C15 FATTY ACID, AND POWDERY ORGANIC SALT L'OREAL (FR) 2024-06-27 WO disclosed
WO-2024135424-A1 COMPOSITION COMPRISING HYALURONIC ACID-BASED POLYION COMPLEX AND HYDROPHILIC OR LIPOPHILIC ANTIOXIDANT L'OREAL (FR) 2024-06-27 WO disclosed
EP-3545066-B1 CLEANING AGENT COMPOSITIONS CONTAINING COPOLYMER CLARIANT INT LTD (CH) 2024-05-01 EP disclosed
US-20240115483-A1 COMBINATION OF MODIFIED STARCH/C13-C15 FATTY ACID/CLAY WITH AMPHOTERIC SURFACTANT L'OREAL (FR) 2024-04-11 US disclosed
US-20240082132-A1 STABILIZATION OF THIOPYRIDINONE COMPOUND AND YELLOWING REDUCTION OF COMPOSITION COMPRISING SAME L'OREAL (FR) 2024-03-14 US disclosed
CN-101341239-A Rheology modifier/hair styling resin ISP INVESTMENTS INC (US) 2009-01-07 CN disclosed
US-7198650-B2 Method of dyeing human keratin materials with a lightening effect with compositions comprising at least one fluorescent dye and at least one amphoteric or nonionic surfactant, composition thereof, process thereof, and device therefor L'OREAL S.A. (FR) 2007-04-03 US disclosed
US-20050005371-A1 Method of dyeing human keratin materials with a lightening effect with compositions comprising at least one fluorescent dye and at least one amphoteric or nonionic surfactant, composition thereof, process thereof, and device therefor L'OREAL S.A. (FR) 2005-01-13 US disclosed
US-20040258649-A1 Aqueous formulations comprising combinations of anionic and cationic surfactants for generating a yeild point GOLDSCHMIDT AG (DE) 2004-12-23 US disclosed
EP-1466959-A1 Aqueous compositions containing anionic and cationic surfactants for obtaining a yield point Goldschmidt AG (DE) 2004-10-13 EP disclosed
JP-S6169713-A SHAMPOO COMPOSITION DASUKIN:KK 1986-04-10 JP 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 (3 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-20240082132-A1 STABILIZATION OF THIOPYRIDINONE COMPOUND AND YELLOWING REDUCTION OF COMPOSITION COMPRISING SAME FASN, FDFT1, DHPS ALDH1A1 734/4885HRH3 4358/4885HSP90AA1 2482/4885
US-20240115483-A1 COMBINATION OF MODIFIED STARCH/C13-C15 FATTY ACID/CLAY WITH AMPHOTERIC SURFACTANT KRT18, CUTA, DSG1 ALDH1A1 4146/4885HRH3 824/4885HSP90AA1 3695/4885
US-20050005371-A1 Method of dyeing human keratin materials with a lightening effect with compositions comprising at least one fluorescent dye and at least one amphoteric or nonionic surfactant, composition thereof, process thereof, and device therefor KRT18, S100A11, S100A4 ALDH1A1 1739/4885HRH3 1427/4885HSP90AA1 2554/4885

“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.