SCHEMBL543482

SCHEMBL543482

CCCCCCCCCCCc1nccn1CC(=O)[O-].[Na+]

nearest known ligand 0.53

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 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
ALPG P10696 2/20 0.41
PLAA Q9Y263 1/20 0.41
ALPL P05186 1/20 0.40
TLR8 Q9NR97 2/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL31590358 0.94 AGTR1 (0.46) AGTR1AGTR2GPR84ALPGPLAA
SCHEMBL31433442 0.87 AGTR1 (0.46) AGTR1AGTR2ALPGPLAAALPL
SCHEMBL3964672 0.85 AGTR1 (0.46) AGTR1AGTR2ALPGPLAAALPL
SCHEMBL27528516 0.85 AGTR1 (0.46) AGTR1AGTR2ALPGPLAAALPL
SCHEMBL543481 0.84 AGTR1 (0.46) AGTR1AGTR2ALPGPLAAALPL
SCHEMBL31590621 0.79 AGTR1 (0.51) AGTR1AGTR2ALPGPLAAALPL
Acetic Acid SCHEMBL28240456 0.78 TLR8 (0.50) AGTR1AGTR2TLR8ALDH1A1POLB
SCHEMBL16163820 0.78 TLR8 (0.47) AGTR1AGTR2TLR8ALDH1A1POLB
SCHEMBL4235889 0.78 TLR8 (0.47) AGTR1AGTR2TLR8ALDH1A1POLB
SCHEMBL3722777 0.78 TLR8 (0.47) AGTR1AGTR2TLR8ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260139203-A1 FABRIC TREATMENT USING BACTERIAL SPORES THE PROCTER & GAMBLE CO (US) 2026-05-21 US disclosed
EP-3933017-B1 FABRIC AND HOME CARE PRODUCT COMPRISING A SULFATIZED ESTERAMINE PROCTER & GAMBLE (US) 2026-04-08 EP disclosed
EP-4123007-B1 FABRIC TREATMENT USING BACTERIAL SPORES PROCTER & GAMBLE (US) 2026-04-08 EP disclosed
US-20260092238-A1 COMPOSITION COMPRISING SPORES AND CATIONIC GLUCAN PROCTER & GAMBLE (US) 2026-04-02 US disclosed
EP-4123006-B1 COMPOSITION COMPRISING SPORES AND PRO-PERFUME MATERIALS PROCTER & GAMBLE (US) 2026-03-25 EP disclosed
US-12565628-B2 Fabric and home care product comprising a sulfatized esteramine THE PROCTER & GAMBLE COMPANY (US) 2026-03-03 US disclosed
US-12545859-B2 Fabric treatment using bacterial spores THE PROCTER & GAMBLE COMPANY (US) 2026-02-10 US disclosed
US-12545857-B2 Amphiphilic alkoxylated polyamines and their uses THE PROCTER & GAMBLE COMPANY (US) 2026-02-10 US disclosed
US-12534687-B2 Laundry detergent composition comprising polyvinyl alcohol acetal polymer THE PROCTER & GAMBLE CO. (US) 2026-01-27 US disclosed
US-12529014-B2 Polyurethane redeposition inhibiting polymers and detergent compositions containing same LUBRIZOL ADVANCED MATERIALS, INC. (US) 2026-01-20 US disclosed
US-4180472-A SPECIFIC MIXTURES OF SOLVENTS AND SOLVENT SOLUBLE EMULSIFIERS IN AQUEOUS WASHING MEDIUM THE PROCTER & GAMBLE COMPANY (US) 1979-12-25 US disclosed
US-4178254-A Fabric care compositions containing smectite clay and starch THE PROCTER & GAMBLE COMPANY (US) 1979-12-11 US disclosed
US-4176080-A SOLVENTS, WATER IN OIL EMULSIFIER, SURFACTANTS; LAUNDERING THE PROCTER & GAMBLE COMPANY (US) 1979-11-27 US disclosed
US-4174291-A DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1979-11-13 US disclosed
EP-0004111-A1 Fabric care compositions containing smectite clay and gelatinized vegetable starch THE PROCTER & GAMBLE COMPANY (US) 1979-09-19 EP disclosed
US-4165334-A Detergent compounds and compositions THE PROCTER & GAMBLE COMPANY (US) 1979-08-21 US disclosed
US-4162983-A Fabric care composition containing starch and surfactant THE PROCTER & GAMBLE COMPANY (US) 1979-07-31 US disclosed
US-4069066-A AMINE COMPOUNDS, METAL SALT THE PROCTER & GAMBLE COMPANY (US) 1978-01-17 US disclosed
US-4062647-A Clay-containing fabric softening detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1977-12-13 US disclosed
US-4051046-A ANTISTATIC AGENTS, SOFTENERS, WRINKLE RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 1977-09-27 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 (7 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-12565628-B2 Fabric and home care product comprising a sulfatized esteramine SSU72, HAT1, ADH1C AGTR1 1015/4885AGTR2 1385/4885GPR84 1077/4885
US-12534687-B2 Laundry detergent composition comprising polyvinyl alcohol acetal polymer DAGLA, ADH1C, DAGLB AGTR1 1323/4885AGTR2 1393/4885GPR84 2834/4885
US-20260139203-A1 FABRIC TREATMENT USING BACTERIAL SPORES SPOUT1, TYR, BAG2 AGTR1 2197/4885AGTR2 1567/4885GPR84 2132/4885
US-12545859-B2 Fabric treatment using bacterial spores SPOUT1, WASHC4, BAG2 AGTR1 2840/4885AGTR2 2889/4885GPR84 1763/4885
US-12545857-B2 Amphiphilic alkoxylated polyamines and their uses AOC2, AOC1, AOC3 AGTR1 137/4885AGTR2 97/4885GPR84 2342/4885
US-20260092238-A1 COMPOSITION COMPRISING SPORES AND CATIONIC GLUCAN MGAM, PMM2, MGAM2 AGTR1 3167/4885AGTR2 2645/4885GPR84 1655/4885
US-12529014-B2 Polyurethane redeposition inhibiting polymers and detergent compositions containing same PUF60, XRCC6, SDC2 AGTR1 2352/4885AGTR2 2051/4885GPR84 2035/4885

“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.