SCHEMBL902801

SCHEMBL902801

CC(NC(C)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.53

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 11)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
CA1 known ✓ P00915 6/20 0.39
CA4 known ✓ P22748 4/20 0.35
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
FAHD1 Q6P587 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL29492088 0.86 CA2 (0.35) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL20512334 0.84 TP53 (0.35) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL5693585 0.84 TP53 (0.35) CA2CA1CYP3A4TSHRNFKB1
Potassium Ion SCHEMBL29492059 0.80 CA4 (0.32) CA4
SCHEMBL1960965 0.79
SCHEMBL10493061 0.77
SCHEMBL11433897 0.75 CA1 (0.40) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL31242686 0.73 TSHR (0.58) CA2TSHR
Potassium Ion SCHEMBL373503 0.73
Lithium Ion SCHEMBL31009357 0.73

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 59 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
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
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-114602113-A Aqueous film-forming foam extinguishing agent and preparation method thereof 珠海金禹科技有限公司 2022-06-10 CN disclosed
WO-2021099350-A1 COMPOSITION COMPRISING AZOLE FUNGICIDES AND FATTY ACID AMIDES LIFE SCIENTIFIC LTD (IE) 2021-05-27 WO disclosed
US-20200390669-A1 COMPOSITIONS CONTAINING BIO-BASED FARNESENE OR COMPOUNDS DERIVED THEREFROM AND THEIR USE IN CONSUMER AND INDUSTRIAL PRODUCTS NAXYRIS S.A., AS LENDER (LU) 2020-12-17 US disclosed
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 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 (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-20150315520-A1 SOLVENT COMPOSITIONS DHCR24, HRAS, KRAS CA2 4587/4885CA1 2866/4885CA4 4047/4885
US-20200390669-A1 COMPOSITIONS CONTAINING BIO-BASED FARNESENE OR COMPOUNDS DERIVED THEREFROM AND THEIR USE IN CONSUMER AND INDUSTRIAL PRODUCTS FDFT1, FNTA, FNTB CA2 4677/4885CA1 4792/4885CA4 4130/4885
US-10071034-B2 Solvent compositions DHCR24, HRAS, KRAS CA2 4587/4885CA1 2866/4885CA4 4047/4885

“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.