SCHEMBL4609450

SCHEMBL4609450

CCCCCCCCCCCCCCCCC(C(=O)[O-])(C(C)(C)C(=O)O)[N+](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.36
CA2 P00918 1/20 0.36
CES1 P23141 3/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL4611396 1.00 CES2 (0.36) CES2CA2CES1PPARGPPARD
SCHEMBL4902282 0.84 CES2 (0.34) CES2CA2CES1PPARGPPARD
SCHEMBL5073914 0.83 FDPS (0.39) CES2CA2CES1
SCHEMBL1833476 0.83 FDPS (0.39) CES2CA2CES1
SCHEMBL332249 0.83 FDPS (0.39) CES2CA2CES1
SCHEMBL14801394 0.83 FDPS (0.39) CES2CA2CES1
SCHEMBL5180083 0.81 CES2 (0.37) CES2CA2CES1
SCHEMBL5051960 0.81 CES2 (0.37) CES2CA2CES1
Hydrochloric Acid SCHEMBL17004780 0.80 CA2 (0.40) CES2CA2CES1
SCHEMBL2586062 0.80 DNM1 (0.36) CES2CES1PPARGPPARDPPARA

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
WO-2020130256-A1 POLISHING SLURRY COMPOSITION FOR STI PROCESS 주식회사 케이씨텍 2020-06-25 WO claimed
EP-3503726-A1 LOW RESIDUE DISINFECTING WIPES Lonza Inc. (US) 2019-07-03 EP claimed
WO-2018064021-A1 LOW RESIDUE DISINFECTING WIPES LONZA INC. (US) 2018-04-05 WO claimed
US-20180084777-A1 Low Residue Disinfecting Wipes Arxada, LLC 2018-03-29 US claimed
EP-4381040-A1 TRIAMINE-BASED DISINFECTING CLEANING COMPOSITION Arxada AG (CH) 2024-06-12 EP disclosed
US-11896703-B2 Liquid lipid composite composition for improving hair condition AMOREPACIFIC CORPORATION (KR) 2024-02-13 US disclosed
WO-2023191992-A1 COMPOSITION WITH RESIDUAL ANTI-MICROBIAL ACTIVITY ARXADA AG (CH) 2023-10-05 WO disclosed
WO-2023067109-A9 TRIAMINE-BASED DISINFECTING CLEANING COMPOSITION ARXADA AG (CH) 2023-06-15 WO disclosed
WO-2023067109-A1 TRIAMINE-BASED DISINFECTING CLEANING COMPOSITION ARXADA AG (CH) 2023-04-27 WO disclosed
US-20220334130-A1 MELANOGENESIS DETECTION METHOD USING FAM86A Research & Business Foundation Sungkyunkwan University (KR) 2022-10-20 US disclosed
WO-2021034179-A1 MELANOGENESIS DETECTION METHOD USING FAM86A 성균관대학교산학협력단 2021-02-25 WO disclosed
US-20210015732-A1 LIQUID LIPID COMPOSITE COMPOSITION FOR IMPROVING HAIR CONDITION AMOREPACIFIC CORPORATION (KR) 2021-01-21 US disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20070148102-A1 Hair treament method using dry foam as mechanical support for hair PROCTER & GAMBLE COMPANY, THE 2007-06-28 US disclosed
WO-2007010494-A1 HAIR TREATMENT METHOD USING DRY FOAM AS MECHANICAL SUPPORT FOR HAIR THE PROCTER & GAMBLE COMPANY (US) 2007-01-25 WO disclosed
EP-1745769-A1 Hair treatment method using dry foam as mechanical support for hair Wella Aktiengesellschaft (DE) 2007-01-24 EP disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
US-6054450-A SOLUTION OF ZINC PYRITHIONE IN N-ACYLETHYLENEDIAMINETRIACETATE. PACIFIC CORPORATION (KR) 2000-04-25 US disclosed
US-5886031-A ADMINISTERING TO A PERSON AN EFFECTIVE AMOUNT OF IODOPROPYNYL BUTYL CARBAMATE AN ANTIBACTERIAL AND ANTIDANDRUFF AGENT WITH AN ADSORPTION-ACCELERATING AGENTS SELECTED FROM UREA, GUAR HYDROXYPROPYL TRIMONIUM CHLORIDE, AND POLYQUATERNIUM-10 PACIFIC CORPORATION (KR) 1999-03-23 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-11896703-B2 Liquid lipid composite composition for improving hair condition SGMS2, CERT1, SGMS1 CES2 443/4885CA2 2574/4885CES1 319/4885
US-20210015732-A1 LIQUID LIPID COMPOSITE COMPOSITION FOR IMPROVING HAIR CONDITION SGMS2, CERT1, SGMS1 CES2 443/4885CA2 2574/4885CES1 319/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CES2 547/4885CA2 2855/4885CES1 1963/4885
US-20180084777-A1 Low Residue Disinfecting Wipes SMURF1, SMURF2, CUTA CES2 3117/4885CA2 3877/4885CES1 4075/4885

“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.