SCHEMBL725504

SCHEMBL725504

CCCCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.51

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
PPARG known ✓ P37231 2/20 0.44
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
POLM Q9NP87 2/20 0.50
POLK Q9UBT6 2/20 0.50
POLL Q9UGP5 2/20 0.50
POLH Q9Y253 2/20 0.50
ALOX15 P16050 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL725984 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL10913561 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29375880 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29775577 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL222194 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29753940 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL727223 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL179746 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL8334538 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL8025576 0.99 MEN1 (0.52) MEN1KMT2AKDM4ERECQLPOLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271121-A1 A NEW ENZYME MIXTURE AND A DENIM WASHING METHOD USING THEREOF REALKOM TEKSTIL URUNLERI SANAYI PAZARLAMA VE DIS TICARET ANONIM SIRKETI (TR) 2022-12-29 WO claimed
CN-108430586-B Hydrogen peroxide booster system for enhanced tooth whitening 高露洁-棕榄公司 2021-07-23 CN claimed
EP-3395932-B1 HAIR REMOVAL FROM TEXTILES CARES LABORATORY LTD (GB) 2021-01-06 EP claimed
US-20200297594-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening COLGATE-PALMOLIVE COMPANY (US) 2020-09-24 US claimed
WO-2020159007-A1 METHOD FOR PREPARING ACYLOXYBENZENESULFONATE COMPOUND 주식회사 비제이바이오켐 2020-08-06 WO claimed
US-20180369087-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening COLGATE-PALMOLIVE COMPANY (US) 2018-12-27 US claimed
EP-3383503-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING Colgate-Palmolive Company (US) 2018-10-10 EP claimed
EP-3383357-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING Colgate-Palmolive Company (US) 2018-10-10 EP claimed
WO-2017105456-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING COLGATE-PALMOLIVE COMPANY (US) 2017-06-22 WO claimed
WO-2017105455-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING COLGATE-PALMOLIVE COMPANY (US) 2017-06-22 WO claimed
US-20070252107-A1 Co-granulates of bleach activator-peroxide compounds OCI CHEMICAL CORPORATION 2007-11-01 US claimed
EP-1749084-A1 BLEACH REINFORCER COMBINATION FOR USE IN WASHING AND CLEANING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-02-07 EP claimed
WO-2005116181-A1 BLEACH REINFORCER COMBINATION FOR USE IN WASHING AND CLEANING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-08 WO claimed
WO-2000078676-A1 USE OF ACTIVATED PHYLLOSILICATES IN NON-AQUEOUS LIQUID DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-28 WO claimed
EP-1032639-A1 DETERGENT COMPOSITION CONTAINING OPTIMALLY SIZED BLEACH ACTIVATOR PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2000-09-06 EP claimed
WO-2000042158-A1 BLEACHING COMPONENT THE PROCTER & GAMBLE COMPANY (US) 2000-07-20 WO claimed
WO-1999027061-A1 DETERGENT COMPOSITION CONTAINING OPTIMALLY SIZED BLEACH ACTIVATOR PARTICLES THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO claimed
US-5817614-A QUATERNARY IMINE ZWITTERIONS PROCTER & GAMBLE COMPANY (US) 1998-10-06 US claimed
US-5234616-A Using peroxygen source, hydrotropic bleach activator and quaternary ammonium salt THE CLOROX COMPANY (US) 1993-08-10 US claimed
US-5130045-A Containing quaternary amonium salt THE CLOROX COMPANY (US) 1992-07-14 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-20200297594-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening GPX4, GPX1, PRDX3 PPARG 2362/4885MEN1 4669/4885KMT2A 812/4885
US-20180369087-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening CAT, GPX4, LPO PPARG 1588/4885MEN1 4328/4885KMT2A 1750/4885

“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.