SCHEMBL579429

SCHEMBL579429

O=C(c1ccccc1)c1cccc(OCO)c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.40

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 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
ELANE P08246 1/20 0.40
AKR1C3 P42330 1/20 0.39
ABCB1 P08183 6/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
STS P08842 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL689017 0.86 MAPT (0.42) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL18817857 0.85 MAPT (0.41) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL15795285 0.81 ELANE (0.40) DRD2DRD1DRD3ELANEAKR1C3
Sulfuric Acid SCHEMBL28055088 0.80 DRD2 (0.52) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL769670 0.79 DRD2 (0.57) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL30149165 0.79 DRD2 (0.57) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL29945615 0.78 DRD2 (0.56) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL1161009 0.78 DRD2 (0.56) DRD2DRD1DRD3ELANEAKR1C3
SCHEMBL9411580 0.77 LIG1 (0.46) AKR1C3KMT2AGAAMAPTSTS
SCHEMBL6063472 0.77 ABCB1 (0.47) DRD2DRD1DRD3ELANEAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023032110-A1 STABILIZED SILVER-ION WATER, STABILIZED SILVER-ION WATER PRODUCTION METHOD, SILVER-ION GEL, AND SILVER-ION DETERGENT 株式会社クリーンテック販売 2023-03-09 WO claimed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
EP-2172185-B1 Cosmetic material comprising octyl hydroxy stearate oligomer PARAHERMOSA CO LTD (JP) 2011-11-23 EP claimed
WO-2007110415-A2 USE OF DIACETYL TRIMERS AND COSMETIC OR THERAPEUTIC FORMULATIONS CONTAINING THESE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2007-10-04 WO claimed
JP-7233046-A None JP disclosed
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY SYMRISE AG (DE) 2024-07-18 US disclosed
US-12036306-B2 Cosmetic product SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
CN-118302179-A Cosmetic composition for reducing the oiliness and shine of the skin and use of the same 欧莱雅 2024-07-05 CN disclosed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 US disclosed
US-20240216272-A1 PHARMACEUTICAL PREPARATION KOWA COMPANY, LTD. (JP) 2024-07-04 US disclosed
EP-4391993-A1 W/O TYPE COMPOSITION COMPRISING ORGANIC UV FILTER AND SPHERICAL HYDROPHOBIC SILICA L'OREAL (FR) 2024-07-03 EP disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
EP-0887070-A1 External composition for skin comprising sphingoglycolipid Kibun Food ChemiFA Co., Ltd. (JP) 1998-12-30 EP disclosed
EP-0882447-A1 SOLUBLE COSMETICS SHISEIDO COMPANY LIMITED (JP) 1998-12-09 EP disclosed
US-5750563-A MIXING A CATECHIN, A FLAVONE, OR A TANNIN INTO EMULSIFIED MIXTURE OF KOJIC ACID, NONIONIC SURFACTANT, AND ULTRAVIOLET LIGHT ABSORBER; STABILIZATION, DISCOLORATION INHIBITION SANSHO SEIYAKU CO., LTD. (JP) 1998-05-12 US disclosed
EP-0826365-A2 Tocopheryl ascorbyl phosphate-cyclodextrin clathrate and a topical dermal composition containing said clathrate Senju Pharmaceutical Co., Ltd. (JP) 1998-03-04 EP disclosed
US-5637293-A STABILITY; DISCOLORATION INHIBITION; MIXTURE OF KOJIC ACID, ULTRAVIOLET RADIATION ABSORBER, FATTY ESTER AND(OR) GLYCERIDE SANSHO SEIYAKU CO., LTD. (JP) 1997-06-10 US disclosed
US-5599528-A PREVENTING DISCOLORATION AND DECOMPOSITION OF KOJIC ACID IN AQUEOUS COSMETIC EMULSIONS BY ADDING NONIONIC SURFACTANTS AND CONTROLLING HYDROPHILIC-LIPOPHILIC BALANCE SANSHO SEIYAKU CO., LTD. (JP) 1997-02-04 US disclosed
EP-0689830-A2 Skin cosmetic composition Senju Pharmaceutical Co., Ltd. (JP) 1996-01-03 EP disclosed
JP-H07233046-A EXTERNAL PREPARATION KOSE CORP 1995-09-05 JP 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 (5 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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH DRD2 2052/4885DRD1 1850/4885DRD3 2596/4885
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH DRD2 1078/4885DRD1 770/4885DRD3 1267/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 DRD2 1469/4885DRD1 861/4885DRD3 1004/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L DRD2 1560/4885DRD1 1369/4885DRD3 1819/4885
US-20240216272-A1 PHARMACEUTICAL PREPARATION SFPQ, HAX1, XDH DRD2 259/4885DRD1 47/4885DRD3 307/4885

“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.