SCHEMBL1410085

SCHEMBL1410085

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

nearest known ligand 0.48

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 7/20 0.38
CA4 known ✓ P22748 1/20 0.38
CA1 known ✓ P00915 6/20 0.33
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 2/20 0.37
TTR P02766 1/20 0.35
PKLR P30613 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 2/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
DUSP5 Q16690 2/20 0.32

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
Potassium Ion SCHEMBL30205305 0.96 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCA2CA4
Lithium Ion SCHEMBL8676700 0.96 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCA2CA4
Isophthalic Acid SCHEMBL7858901 0.89 CA2 (0.44) KDM4EALDH1A1HPGDCA2CA4
SCHEMBL4315002 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDCA2ALOX15
SCHEMBL11622001 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HPGDALOX15POLB
Potassium Ion SCHEMBL11621031 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HPGDALOX15POLB
SCHEMBL2922035 0.83 ALOX15 (0.55) KDM4EALDH1A1HPGDCA2CA4
SCHEMBL143946 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HPGDCA2CA4
Terephthalic Acid SCHEMBL7867065 0.81 CA2 (0.48) ALDH1A1CA2CA4ALOX15CA1
Ethylene SCHEMBL4534559 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836998-B Processing technology of diacetate short fiber blended knitted fabric 盐城福汇纺织有限公司 2024-07-16 CN claimed
CN-117987960-A High-density curled regenerated hollow polyester staple fiber, preparation method and latex-like cotton prepared from same 余姚大发化纤有限公司 2024-05-07 CN claimed
WO-2023124145-A1 METHOD FOR PREPARING CATIONIC DYEABLE FLAME-RETARDANT HIGH-STRENGTH POLYESTER FIBER 江苏新视界先进功能纤维创新中心有限公司 2023-07-06 WO claimed
CN-114892391-A Bird-repelling fabric and preparation method thereof 吕铭琪 2022-08-12 CN claimed
CN-111676545-B Thermotropic bionic color-changing fiber, yarn and fabric and preparation method thereof 华中科技大学 2021-07-30 CN claimed
WO-2020134496-A1 CATIONIC DYEABLE POLYESTER FIBERS AND PREPARATION METHOD THEREOF 江苏恒力化纤股份有限公司 2020-07-02 WO claimed
US-10023479-B2 Capacitive deionization apparatus and methods of treating a fluid using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-07-17 US claimed
US-20140367262-A1 CAPACITIVE DEIONIZATION APPARATUS AND METHODS OF TREATING A FLUID USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-12-18 US claimed
CN-103992467-A Resin composition for preparation of thermoplastic polyester resin and polyester resin prepared therefrom LOTTE CHEMICAL CORP 2014-08-20 CN claimed
US-20140079645-A1 AEROSOL DEVICE HAVING TWO COMPARTMENTS INCLUDING AN ALCOHOLIC OR HYDROALCOHOLIC HAIRSTYLING COMPOSITION, AND HAIRSTYLING METHOD L'OREAL (FR) 2014-03-20 US claimed
EP-1283286-B1 Microfiber substrate and its manufacturing SAN FANG CHEMICAL INDUSTRY CO (TW) 2005-09-28 EP claimed
US-6737004-B2 ARTIFICIAL LEATHER; SPINNING, MELTING, KNITING, SHRINKING SAN FANG CHEMICAL INDUSTRY CO. LTD. (TW) 2004-05-18 US claimed
US-20030034584-A1 Microfiber substrate and its manufacturing method SAN FANG CHEMICAL INDUSTRY CO., LTD. 2003-02-20 US claimed
EP-1283286-A1 Microfiber substrate and its manufacturing San Fang Chemical Industry Co., Ltd. (TW) 2003-02-12 EP claimed
CN-1067451-C Suede-like artificial leather KURAY CO LTD (JP) 2001-06-20 CN claimed
EP-0574055-B1 Dye-receiving element for thermal dye sublimation transfer AGFA GEVAERT NV (BE) 1997-03-12 EP claimed
CN-1116669-A Suede-like artificial leather KURARAY CO (JP) 1996-02-14 CN claimed
US-5376149-A Support with subbing layer of copolyester having units derived from aromatic dicarboxylic acid, aliphatic diol, sulfonate group containing monomer AGFA-GEVAERT, N.V. (BE) 1994-12-27 US claimed
EP-0574055-A2 Dye-receiving element for thermal dye sublimation transfer AGFA-GEVAERT N.V. (BE) 1993-12-15 EP claimed
EP-0029620-A1 Aqueous copolyester dispersions suited for the subbing of polyester film, subbed polyester film and photographic materials containing a subbed polyester base AGFA-GEVAERT N.V. (BE) 1981-06-03 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-20140079645-A1 AEROSOL DEVICE HAVING TWO COMPARTMENTS INCLUDING AN ALCOHOLIC OR HYDROALCOHOLIC HAIRSTYLING COMPOSITION, AND HAIRSTYLING METHOD C1R, POLR1C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA2 950/4885CA4 584/4885CA1 93/4885

“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.