SCHEMBL6544283

SCHEMBL6544283

O=C([O-])CCC(C(=O)[O-])N(CC(=O)O)CC(=O)O.O=C([O-])CCC(C(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.42
CA2 known ✓ P00918 2/20 0.34
CA4 known ✓ P22748 1/20 0.30
FOLH1 Q04609 2/20 0.41
BBOX1 O75936 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NFKB1 P19838 2/20 0.31
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL4995730 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175488 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175514 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL29913566 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL11242145 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL30177587 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL11242121 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175500 0.90 TET2 (0.35) FOLH1NFKB1BLM
SCHEMBL169001 0.88 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84
SCHEMBL22194082 0.88 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132548-A1 COMPOSITION FOR LIGHTENING KERATIN FIBERS AND PROCESS FOR LIGHTENING KERATIN FIBERS USING SAID COMPOSITION L'OREAL (FR) 2025-06-26 WO claimed
WO-2025003368-A1 COMPOSITION COMPRISING A PARTICULAR POLYCARBOXYLIC ACID OR A SALT THEREOF, A (BI)CARBONATE IN A PARTICULAR CONTENT, AN ADDITIONAL ALKALINE AGENT, A FATTY SUBSTANCE AND A DYE L'OREAL (FR) 2025-01-02 WO claimed
US-20020134679-A1 Improved in its sensitivity by making the silver halide layer almost free from heavy metal element, by oxidizing the silver metal layer on its surface side with an oxidizer compound free of heavy metal, in presence of a halide material TERASHIMA MASAAKI (JP) 2002-09-26 US claimed
EP-1026500-A1 Silver/silver halide electrode and ion-selective electrode element FUJI PHOTO FILM CO., LTD. (JP) 2000-08-09 EP claimed
US-20260068877-A1 COMPOSITION Aspire Technology Group Ltd (GB) 2026-03-12 US disclosed
US-20260068878-A1 COMPOSITION Aspire Technology Group Ltd (GB) 2026-03-12 US disclosed
WO-2025132548-A1 COMPOSITION FOR LIGHTENING KERATIN FIBERS AND PROCESS FOR LIGHTENING KERATIN FIBERS USING SAID COMPOSITION L'OREAL (FR) 2025-06-26 WO disclosed
EP-4574945-A1 CLEANING AGENT CONCENTRATE Henkel AG & Co. KGaA (DE) 2025-06-25 EP disclosed
US-20250195567-A1 COMPOSITIONS FOR REMOVING MICROBIAL BIOFILM OR INHIBITING FORMATION THEREOF PRUDENTIX LTD. (IL) 2025-06-19 US disclosed
WO-2025003368-A1 COMPOSITION COMPRISING A PARTICULAR POLYCARBOXYLIC ACID OR A SALT THEREOF, A (BI)CARBONATE IN A PARTICULAR CONTENT, AN ADDITIONAL ALKALINE AGENT, A FATTY SUBSTANCE AND A DYE L'OREAL (FR) 2025-01-02 WO disclosed
WO-2024150785-A1 RESIN COMPOSITION CONTAINING POLYALKYLENE IMINE AND/OR POLYALKYLENE IMINE DERIVATIVE 株式会社日本触媒 2024-07-18 WO disclosed
US-20240115474-A1 AGENTS FOR OXIDATIVELY CHANGING THE COLOR OF KERATIN FIBERS, COMPRISING A COMPLEXING AGENT, AN ACTIVATOR, AND AN OXIDANT HENKEL AG & CO. KGAA (DE) 2024-04-11 US disclosed
US-20170112747-A1 ANTIPERSPIRANT COSMETICS COMPRISING SPECIFIC PROTEINS FROM LEGUMES OF THE GENUS PISUM AND/OR PHASEOLUS AND/OR VIGNA AND/OR MACROTYLOMA OR FROM CRUCIFEROUS PLANTS OF THE GENUS BRASSICA AND INCLUDING NO ALUMINUM AND/OR ZIRCONIUM HALIDES AND/OR HYDROXY HALIDES HENKEL AG & CO. KGAA (DE) 2017-04-27 US disclosed
US-20170112746-A1 ANTIPERSPIRANT COSMETICS COMPRISING SPECIFIC PROTEINS FROM ADNEXA OF MAMMALS, BIRDS, FISH, INSECTS OR CRUSTACEANS AND INCLUDING NO ALUMINUM AND/OR ZIRCONIUM HALIDES AND/OR HYDROXY HALIDES HENKEL AG & CO. KGAA (DE) 2017-04-27 US disclosed
EP-0884381-B1 DETERGENT COMPOSITION KAO CORP (JP) 2004-01-07 EP disclosed
US-6616822-B2 Improved in its sensitivity by making the silver halide layer almost free from heavy metal element, by oxidizing the silver metal layer on its surface side with an oxidizer compound free of heavy metal, in presence of a halide material FUJI PHOTO FILM CO., LTD. (JP) 2003-09-09 US disclosed
US-20020134679-A1 Improved in its sensitivity by making the silver halide layer almost free from heavy metal element, by oxidizing the silver metal layer on its surface side with an oxidizer compound free of heavy metal, in presence of a halide material TERASHIMA MASAAKI (JP) 2002-09-26 US disclosed
EP-1026500-A1 Silver/silver halide electrode and ion-selective electrode element FUJI PHOTO FILM CO., LTD. (JP) 2000-08-09 EP disclosed
US-5948748-A AN ANIONIC SURFACTANT, A SALT OF A POLYMER COMPRISING CARBOXYLIC ACID UNITS AND HAVING A SPECIFIC MOLECULAR WEIGHT, AN N,N-BIS(CARBOXYMETHYL)GLUTAMIC ACID SALT AND A CRYSTALLINE ALUMINOSILICATE KAO CORPORATION (JP) 1999-09-07 US disclosed
EP-0884381-A1 DETERGENT COMPOSITION Kao Corporation (JP) 1998-12-16 EP 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-20260068878-A1 COMPOSITION SCD, SORD, SCD5 CA1 1115/4885CA2 610/4885CA4 785/4885
US-20240115474-A1 AGENTS FOR OXIDATIVELY CHANGING THE COLOR OF KERATIN FIBERS, COMPRISING A COMPLEXING AGENT, AN ACTIVATOR, AND AN OXIDANT KRT18, LPO, OAT CA1 1136/4885CA2 1115/4885CA4 988/4885
US-20260068877-A1 COMPOSITION SCD, SORD, CD44 CA1 1515/4885CA2 976/4885CA4 843/4885

“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.