SCHEMBL902802

SCHEMBL902802

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

nearest known ligand 0.50

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 9)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.50
CA1 known ✓ P00915 3/20 0.43
BBOX1 O75936 2/20 0.50
FFAR3 O14843 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
CASP1 P29466 1/20 0.40

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
SCHEMBL28824598 0.89 BBOX1 (0.43) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL9939567 0.89 BBOX1 (0.43) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL8186347 0.88 BBOX1 (0.46) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL6700396 0.87 CA12 (0.48) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL28177619 0.84
SCHEMBL29268694 0.82 CA1 (0.61) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL173239 0.82 CA1 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL31438874 0.82 BBOX1 (0.38) CA4BBOX1FFAR3HDAC3HDAC1
SCHEMBL25232579 0.80 CA1 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL25245607 0.80 CA1 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109252176-B Stain-removing and rust-preventing two-in-one cleaning agent 河南海利未来科技有限公司 2020-11-13 CN claimed
CN-108383743-B Method for treating beta-alanine by-product 安徽省恒锐新技术开发有限责任公司 2020-11-03 CN claimed
EP-3137047-B1 SOLVENT COMPOSITIONS BASED ON DIHYDROFARNESENE AMYRIS INC (US) 2019-06-26 EP claimed
US-10071034-B2 Solvent compositions Amyris, Inc. (US) 2018-09-11 US claimed
EP-3137047-A1 SOLVENT COMPOSITIONS BASED ON DIHYDROFARNESENE Amyris, Inc. (US) 2017-03-08 EP claimed
US-20150315520-A1 SOLVENT COMPOSITIONS EUAGORE, LLC 2015-11-05 US claimed
WO-2015168658-A1 SOLVENT COMPOSITIONS BASED ON DIHYDROFARNESENE Amyris, Inc. (US) 2015-11-05 WO claimed
US-6716804-B2 Nonionic surfactant combination of C9-15 linear primary or branched secondary alcohols ethoxylated with both 6-13 ethylene oxide units (water soluble) and 2.5-5 ethylene units (water insoluble); amphoteric surfactant and/or coupler BUCKEYE INTERNATIONAL, INC. 2004-04-06 US claimed
US-20040033920-A1 CLEANER/DEGREASER COMPOSITIONS WITH SURFACTANT COMBINATION BUCKEYE INTERNATIONAL, INC. 2004-02-19 US claimed
EP-4673432-A1 SUGARCANE DERIVED SEMI-SYNTHETIC COSMETIC INGREDIENTS, METHODS OF PRODUCTION THEREOF, AND PERSONAL CARE PRODUCTS DERIVED THEREFROM Amyris, Inc. (US) 2026-01-07 EP disclosed
CN-119875610-A Long-acting antiscale fracturing fluid and preparation method thereof 中国石油天然气股份有限公司 2025-04-25 CN disclosed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN disclosed
WO-2024182684-A1 SUGARCANE DERIVED SEMI-SYNTHETIC COSMETIC INGREDIENTS, METHODS OF PRODUCTION THEREOF, AND PERSONAL CARE PRODUCTS DERIVED THEREFROM Amyris, Inc. (US) 2024-09-06 WO disclosed
CN-115052930-B Resin composition, laminate, method for producing same, electrode, secondary battery, and electric double layer capacitor 东丽株式会社 2024-06-18 CN disclosed
US-5486316-A Aqueous lubricant and surface conditioner for formed metal surfaces HENKEL CORPORATION (US) 1996-01-23 US disclosed
US-5476601-A Additive consists of quaternary ammonium salt and amine oxide, complex fluoride ions, optionally phosphate ions including sulfate and nitrate ions, aluminate anion and aluminum cation, water solulbe polymer and antifome agent HENKEL CORPORATION (US) 1995-12-19 US disclosed
US-5458698-A Aluminum and tin beverage containers HENKEL CORPORATION (US) 1995-10-17 US disclosed
US-5389199-A Aqueous lubricant and surface conditioner for formed metal surfaces HENKEL CORPORATION (US) 1995-02-14 US disclosed
US-4277566-A REMOVING HEAVY METALS FROM WASTE WATERS OR RECOVERING THEM FROM SEA WATER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-07 US disclosed
US-4014928-A DECOMPOSING ITS ALKALI METAL SALTS IN AN ALKALI METAL HYDROXIDE SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-03-29 US 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 (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-20150315520-A1 SOLVENT COMPOSITIONS DHCR24, HRAS, KRAS CA4 4047/4885CA1 2866/4885BBOX1 674/4885
US-10071034-B2 Solvent compositions DHCR24, HRAS, KRAS CA4 4047/4885CA1 2866/4885BBOX1 674/4885

“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.