SCHEMBL830879

SCHEMBL830879

CCCCCCCCCCCCCCCCC(O)C(=O)[O-].[Na+]

nearest known ligand 0.64

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 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.64
CA1 known ✓ P00915 2/20 0.61
GPR84 Q9NQS5 8/20 0.63
FFAR1 O14842 2/20 0.63
NFKB1 P19838 2/20 0.55
FFAR4 Q5NUL3 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6561695 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL9355567 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL29800325 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL515157 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL10913274 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL7202633 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL1233071 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL10911647 0.98 CA1 (0.63) CA2GPR84FFAR1CA1NFKB1
SCHEMBL23391732 0.96 GPR84 (0.63) CA2GPR84FFAR1CA1NFKB1
SCHEMBL11812812 0.96 GPR84 (0.63) CA2GPR84FFAR1CA1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535828-A High-brightness scratch-resistant anti-adhesion master batch and preparation method thereof 安徽国风新材料股份有限公司 2023-08-04 CN claimed
CN-111956577-A Body-perfuming cream for relieving bromhidrosis symptoms and preparation method thereof 苏州隽德生物科技有限公司 2020-11-20 CN claimed
US-9994484-B2 Fast setting portland cement compositions with alkali metal citrates and phosphates with high early-age compressive strength and reduced shrinkage UNITED STATES GYPSYM COMPANY (US) 2018-06-12 US claimed
EP-3042945-B1 COMPOSITION FOR FORMING LUBRICATING COATING FILM, AND THREADED JOINT FOR STEEL PIPE NIPPON STEEL & SUMITOMO METAL CORP (JP) 2018-02-21 EP claimed
US-9725671-B2 Lubricant film-forming composition and screw joint for steel pipe NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) 2017-08-08 US claimed
EP-2854543-B1 CHEMICAL STABILISATION OF IODOSULFURON-METHYL-SODIUM SALT USING HYDROXYSTEARATES BAYER CROPSCIENCE AG (DE) 2016-08-24 EP claimed
US-20160208194-A1 LUBRICANT FILM-FORMING COMPOSITION AND SCREW JOINT FOR STEEL PIPE NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) 2016-07-21 US claimed
EP-3042945-A1 COMPOSITION FOR FORMING LUBRICATING COATING FILM, AND THREADED JOINT FOR STEEL PIPE Nippon Steel & Sumitomo Metal Corporation (JP) 2016-07-13 EP claimed
US-8933151-B2 Shrinkage-reducing agent for hydraulic material NIPPON SHOKUBAI CO., LTD. (JP) 2015-01-13 US claimed
US-20060004149-A1 Admixture composition for hydraulic material MASANAGA MARI 2006-01-05 US claimed
US-20040185024-A1 Composition for washing keratin materials comprising at least one amphoteric surfactant and at least one polyethylene glycol ester or ether comprising at least one hydrophobic group L'OREAL S.A. (FR) 2004-09-23 US claimed
US-20040185025-A1 Cosmetic compositions containing at least one alkylamphohydroxyalkylsulphonate amphoteric surfactant and at least one hydroxy acid, and uses thereof L'OREAL S.A. (FR) 2004-09-23 US claimed
US-4294713-A Grease compositions containing selected shielded polysilicate compounds OLIN CORPORATION (US) 1981-10-13 US claimed
US-12551415-B2 Cosmetic composition in the form of a water-in-oil emulsion for treating hair to improve combing SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2026-02-17 US disclosed
EP-4683609-A1 HIMANTHALIA ELONGATA EXTRACT, COSMETIC COMPOSITION COMPRISING SAME, AND USES THEREOF Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2026-01-28 EP disclosed
EP-4683608-A1 PROCESS FOR THE PREPARATION OF A POLAR LIPID-ENRICHED ALGAL EXTRACT Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2026-01-28 EP disclosed
US-5571458-A AMPHOTERIC SURFACTANTS FOR SHAMPOO L'OREAL (FR) 1996-11-05 US disclosed
EP-0416321-B1 Crystalline polyolefin composition CHISSO CORP (JP) 1994-11-09 EP disclosed
US-5063264-A Molding materials CHISSO CORPORATION (JP) 1991-11-05 US disclosed
EP-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP 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-20040185024-A1 Composition for washing keratin materials comprising at least one amphoteric surfactant and at least one polyethylene glycol ester or ether comprising at least one hydrophobic group KRT18, CUTA, DSG1 CA2 655/4885CA1 569/4885GPR84 1228/4885
US-20040185025-A1 Cosmetic compositions containing at least one alkylamphohydroxyalkylsulphonate amphoteric surfactant and at least one hydroxy acid, and uses thereof KRT18, CUTA, DSG1 CA2 1091/4885CA1 1524/4885GPR84 2004/4885
US-12551415-B2 Cosmetic composition in the form of a water-in-oil emulsion for treating hair to improve combing PHOSPHO1, LIPC, ACOT7 CA2 1381/4885CA1 975/4885GPR84 2276/4885

“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.