SCHEMBL587192

SCHEMBL587192

CCCCCC(C(=O)[O-])C(CCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.44
CA2 known ✓ P00918 3/20 0.42
NFKB1 P19838 3/20 0.37
TP53 P04637 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
FFAR1 O14842 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 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
SCHEMBL9651098 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL7100617 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL15520 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL1283043 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL223462 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL626431 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL7100032 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL7098224 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL7095269 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84
SCHEMBL472821 0.99 CA2 (0.45) CA1CA2NFKB1TP53GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4061857-B1 POLYMER DISPERSION MADE FROM (METH)ACRYLATES HAVING LONG SIDE CHAINS EVONIK OPERATIONS GMBH (DE) 2026-05-06 EP claimed
CN-117758323-A Nickel electroplating composition for coarse nickel 罗门哈斯电子材料有限责任公司 2024-03-26 CN claimed
CN-117758322-A Nickel electroplating composition for coarse nickel 罗门哈斯电子材料有限责任公司 2024-03-26 CN claimed
EP-2861316-B1 SELECTIVE CRYSTALLIZATION PROCESSES USING REVERSE MICELLE AND W/O MICROEMULSION SYSTEMS - MULTITASK EMULSION CRYSTALLIZATION (MEC) FARMA GRS D O O (SI) 2020-06-03 EP claimed
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP claimed
EP-1905878-B1 Self-crosslinking vinyl acetate-ethylene polymeric binders for nonwoven webs WACKER CHEMICAL CORP (US) 2011-09-14 EP claimed
WO-2011065855-A1 \"BIOCOMPOSTABLE POLYMER BLENDS\ CABOPOL - INDÚSTRIA DE COMPOSTOS, S.A. (PT) 2011-06-03 WO claimed
US-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives BAYER CROPSCIENCE AG (DE) 2010-07-22 US claimed
US-7758684-B2 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-20 US claimed
WO-2009000407-A1 METHOD FOR REDUCING THE PHYTOTOXICITY OF AZOLES ON DICOTYLEDONOUS PLANTS BY ADDING ADDITIVES BAYER CROPSCIENCE AG (DE) 2008-12-31 WO claimed
US-20030236313-A1 Methods for making foamed elastomer gels EDIZONE, LC 2003-12-25 US claimed
US-6627108-B1 Salicylic acid, nitrilotriacetic acid, sodium hydroxide, n,n-di-secbutylaminophenol, polyalkylene methylpolysiloxane and water; efficient elemental sulfur recovery INSTITUT FRANCAIS DU PETROLE (FR) 2003-09-30 US claimed
US-6391953-B1 FATTY ACID METAL SALT AND ANTIAGGLOMERANT MIXTURE OF POLYSILOXANE AND MINERAL OIL BAYER AKTIENGESELLSCHAFT (DE) 2002-05-21 US claimed
US-6139764-A A BIODEGRADABLE COATING AGENT FOR COATING FIBERS, COMPRISING BIODEGRADABLE MINERAL OIL SUCH AS METAL SALT OF UNSATURATED OR UNDATURATED FATTY ACID HAVING SPECIFIC VISCOSITY, DENSITY AND VISCOSITY/DENSITY CONSTANT BAYER AKTIENGESELLSCHAFT (DE) 2000-10-31 US claimed
EP-0935019-A1 Coating agent for fibers Bayer Aktiengesellschaft (DE) 1999-08-11 EP claimed
EP-0935018-A1 Biodegradable coating agent Bayer Aktiengesellschaft (DE) 1999-08-11 EP claimed
EP-0462174-B1 LIQUID DEVELOPER SYSTEMS WITH SELF-REPLENISHMENT OF BULK CONDUCTIVITY INDIGO NV (NL) 1994-09-28 EP claimed
US-4985162-A SULFOSUCCINATE, NONIONIC SURFACTANT, ANTIFOAM AGENT WEN-DON CORPORATION (US) 1991-01-15 US claimed
EP-0107407-B1 EMULSION EXPLOSIVE COMPOSITION CIL INC (CA) 1988-12-21 EP claimed
EP-0075442-B1 PROCESS FOR PRODUCING BENZOYL PEROXIDE CRYSTALS OF A SMALL SIZE WARNER-LAMBERT COMPANY (US) 1985-07-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives AS3MT, STS, IPMK CA1 198/4885CA2 9/4885NFKB1 2762/4885

“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.