SCHEMBL579428

SCHEMBL579428

O=C(c1ccccc1OCO)c1ccccc1S(=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 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTK2B Q14289 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL769583 0.85 ELANE (0.41) ELANEKDM4EHTTALDH1A1KMT2A
SCHEMBL18817856 0.84 ELANE (0.41) ELANEKDM4EHTTALDH1A1KMT2A
SCHEMBL489857 0.82 ALDH1A1 (0.48) ELANEKDM4EHTTALDH1A1KMT2A
SCHEMBL15795286 0.79 ELANE (0.40) ELANEKMT2AL3MBTL1
Potassium Ion SCHEMBL1649488 0.79 ELANE (0.35) ELANEKMT2ASMN1; SMN2MEN1DRD1
SCHEMBL9411578 0.74 KDM4E (0.50) KDM4EALDH1A1L3MBTL1LMNASMN1; SMN2
Sulfuric Acid SCHEMBL28055088 0.74 DRD2 (0.52) ELANEALDH1A1KMT2APTK2BLMNA
SCHEMBL579429 0.73 DRD2 (0.40) ELANEKMT2AL3MBTL1LMNAMAPT
SCHEMBL30149165 0.73 DRD2 (0.57) ELANEKDM4EHTTALDH1A1KMT2A
SCHEMBL769670 0.73 DRD2 (0.57) ELANEKDM4EHTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7233046-A None JP disclosed
US-12036306-B2 Cosmetic product SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240166823-A1 CROSSLINKED ORGANOSILICON RESIN, A METHOD FOR PRODUCING SAME, AND A COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-05-23 US disclosed
US-11912828-B2 Crosslinked organosilicon resin, a method for producing same, and a cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-02-27 US disclosed
CN-117481998-A Retinol substitutes in skin treatment 西姆莱斯有限公司 2024-02-02 CN disclosed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 US disclosed
US-11642302-B2 Cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-09 US disclosed
EP-3479817-B1 COSMETIC SHINETSU CHEMICAL CO (JP) 2022-05-04 EP disclosed
US-20220000756-A1 COSMETIC PRODUCT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-06 US disclosed
US-11214652-B2 Organic group-modified organosilicon resin, production method thereof, and cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-04 US disclosed
US-6306915-B1 OLIGOSACCHARIDES OF URONIC ACID, GLUCOSAMINE, GALACTOSE, AND MANNOSE, OR ONE URONIC ACID; R.SUB.2 IS AN ALKYL GROUP, EMULSIFIER OF THE PRESENT INVENTION HAS MARKED MOISTURIZING EFFECT, SKIN ROUGHENING PREVENTING EFFECT KIBUN FOOD CHEMIFA CO., LTD (JP) 2001-10-23 US disclosed
EP-0689830-B1 Skin cosmetic composition SENJU PHARMA CO (JP) 2001-09-26 EP disclosed
EP-0978274-A2 Emulsifier and emulsified composition Kibun Food ChemiFA Co., Ltd. (JP) 2000-02-09 EP disclosed
EP-0976381-A1 DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 2000-02-02 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 (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-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT ELANE 905/4885KDM4E 2857/4885HTT 4376/4885
US-20240166823-A1 CROSSLINKED ORGANOSILICON RESIN, A METHOD FOR PRODUCING SAME, AND A COSMETIC NOTUM, OR10J3, CUTA ELANE 765/4885KDM4E 1180/4885HTT 704/4885
US-11912828-B2 Crosslinked organosilicon resin, a method for producing same, and a cosmetic NOTUM, OR10J3, CUTA ELANE 765/4885KDM4E 1180/4885HTT 704/4885

“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.