SCHEMBL472039

SCHEMBL472039

CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 7)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.32
RECQL P46063 1/20 0.43
TSHR P16473 4/20 0.35
PRKCA P17252 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9355866 0.97 RECQL (0.43) RECQLTSHRPRKCATDP1L3MBTL1
Sulfuric Acid SCHEMBL28988908 0.88 RECQL (0.52) RECQLTSHRPRKCATDP1L3MBTL1
SCHEMBL790709 0.84 RECQL (0.58) RECQLTSHRPRKCATDP1L3MBTL1
SCHEMBL9939548 0.84 RECQL (0.43) RECQLPRKCA
SCHEMBL5157461 0.83 RECQL (0.58) RECQLTSHRTDP1
SCHEMBL10385633 0.83 RECQL (0.48) RECQLTSHR
SCHEMBL22528173 0.82 RECQL (0.56) RECQLTSHRPRKCATDP1L3MBTL1
SCHEMBL30579947 0.82 RECQL (0.56) RECQLTSHRPRKCATDP1L3MBTL1
SCHEMBL472038 0.82 RECQL (0.56) RECQLTSHRPRKCATDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL28032182 0.82 RECQL (0.56) RECQLTSHRPRKCATDP1L3MBTL1

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 1145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106948-A1 FIRE RETARDANT COMPOSITIONS CONTAINING ONE OR MORE SURFACTANTS PERIMETER SOLUTIONS LP (US) 2026-05-21 WO claimed
EP-4061857-B1 POLYMER DISPERSION MADE FROM (METH)ACRYLATES HAVING LONG SIDE CHAINS EVONIK OPERATIONS GMBH (DE) 2026-05-06 EP claimed
US-12605321-B2 Personal care compositions COLGATE-PALMOLIVE COMPANY (US) 2026-04-21 US claimed
US-20250268832-A1 Pretomanid Compositions THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2025-08-28 US claimed
WO-2025123991-A1 ARRAY-TYPE FLEXIBLE TACTILE SENSOR AND MANUFACTURING METHOD THEREFOR, AND TACTILE SENSING SYSTEM 广东粤港澳大湾区国家纳米科技创新研究院 2025-06-19 WO claimed
CN-119775979-A Stable foam control agent with rapid dispersion 江苏四新科技应用研究所股份有限公司 2025-04-08 CN claimed
CN-119615411-A Production process of circularly regenerated polylactic acid and low-temperature spandex fabric 深圳市娜尔思时装有限公司 2025-03-14 CN claimed
US-20250064053-A1 DISPERSANT SYSTEMS TO PREVENT CRYSTAL GROWTH IN SUSPENSION CONCENTRATE COMPOSITIONS FMC CORP (US) 2025-02-27 US claimed
CN-118930747-A High-transparency, low-gloss and high-performance aqueous acrylate wood emulsion and preparation method thereof 山西运研新材料有限公司 2024-11-12 CN claimed
EP-4447670-A1 DISPERSANT SYSTEMS TO PREVENT CRYSTAL GROWTH IN SUSPENSION CONCENTRATE COMPOSITIONS FMC Corporation (US) 2024-10-23 EP claimed
US-5132207-A Single stranded DNA reacting to form double stranded, detection of bacteria, precipitating agent GEN-PROBE INCORPORATED (US) 1992-07-21 US claimed
US-5080822-A AQUEOUS DEGREASER COMPOSITIONS CONTAINING AN ORGANIC SOLVENT AND A SOLUBILIZING COUPLER BUCKEYE INTERNATIONAL, INC. (US) 1992-01-14 US claimed
WO-1991015565-A1 IMPROVED AQUEOUS DEGREASER COMPOSITIONS BUCKEYE INTERNATIONAL, INC. (US) 1991-10-17 WO claimed
EP-0420097-A2 Coreactable powdered compositions UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-04-03 EP claimed
EP-0288618-A1 Method for releasing RNA and DNA from cells GEN-PROBE INCORPORATED (US) 1988-11-02 EP claimed
EP-0229442-A1 Accelerated nucleic acid reassociation method GEN-PROBE INCORPORATED (US) 1987-07-22 EP claimed
EP-0075442-B1 PROCESS FOR PRODUCING BENZOYL PEROXIDE CRYSTALS OF A SMALL SIZE WARNER-LAMBERT COMPANY (US) 1985-07-24 EP claimed
US-4401835-A ADDING A SOLUTION OF BENZOYL PEROXIDE AND PRECIPITATION PROMOTER TO AN AQUEOUS SOLUTION OF A DISPERSANT WARNER-LAMBERT COMPANY (US) 1983-08-30 US claimed
EP-0075442-A1 Process for producing benzoyl peroxide crystals of a small size WARNER-LAMBERT COMPANY (US) 1983-03-30 EP claimed
US-4309502-A ANALYSIS FOR BOTH IN SINGLE CUVETTE BECKMAN INSTRUMENTS, INC. (US) 1982-01-05 US 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 (2 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-20250268832-A1 Pretomanid Compositions HPSE, ALG3, ACMSD CA2 4153/4885RECQL 2061/4885TSHR 2083/4885
US-12605321-B2 Personal care compositions SMURF1, S100A10, SMURF2 CA2 1029/4885RECQL 3824/4885TSHR 3822/4885

“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.