SCHEMBL1678891

SCHEMBL1678891

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

nearest known ligand 0.87

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 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.87
CA2 known ✓ P00918 6/20 0.59
FDPS known ✓ P14324 1/20 0.43
NFKB1 P19838 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GPR84 Q9NQS5 1/20 0.47
MAPK1 P28482 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL15022053 0.98 CA1 (0.86) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL2734017 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL6866750 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL2732403 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL2734015 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL9862909 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL2732972 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL15129235 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL8031682 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL15820922 0.95 CA1 (0.83) CA1CA2NFKB1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282806-A1 CHEMICAL SYNTHESIS METHOD FOR DISACCHARIDE FRAGMENT OF VIBRIO VULNIFICUS BIOTYPE 2 SEROVAR A O-ANTIGEN JIANGNAN UNIVERSITY (CN) 2025-09-11 US disclosed
CN-118496286-A Chemical synthesis method of vibrio vulnificus organism type 2A serotype O-antigen disaccharide fragment 江南大学 2024-08-16 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
EP-2621457-B1 OXIDATIVE STABLE MICELLAR COMPOSITIONS SWISSDENT COSMETICS AG (CH) 2017-08-23 EP disclosed
US-9676777-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-06-13 US disclosed
EP-2657234-B1 OPTICALLY-ACTIVE DIAZABICYCLOOCTANE DERIVATIVE AND METHOD FOR MANUFACTURING SAME MEIJI SEIKA PHARMA CO LTD (JP) 2017-01-11 EP disclosed
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-05-19 US disclosed
EP-2776431-B1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-04 EP disclosed
US-9284273-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-03-15 US disclosed
US-20040266905-A1 Hardenable mixture of substrances, production method and use thereof BASF COATINGS AKTIENGESELLSCHAFT (DE) 2004-12-30 US disclosed
EP-1440103-A1 HARDENABLE MIXTURE OF SUBSTANCES, PRODUCTION METHOD AND USE THEREOF BASF Coatings AG (DE) 2004-07-28 EP disclosed
WO-2003091350-A1 THERMALLY CURABLE, THIXOTROPIC MIXTURES CONTAINING CARBAMATE AND/OR ALLOPHANATE GROUPS BASF COATINGS AG (DE) 2003-11-06 WO disclosed
WO-2003037952-A1 HARDENABLE MIXTURE OF SUBSTANCES, PRODUCTION METHOD AND USE THEREOF BASF COATINGS AG (DE) 2003-05-08 WO disclosed
EP-0597401-A2 Production of penem Takeda Chemical Industries, Ltd. (JP) 1994-05-18 EP disclosed
WO-1985004404-A1 CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-10-10 WO disclosed
EP-0156771-A2 Cephalosporins BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-10-02 EP disclosed
US-4378314-A FOR PENICILLINS AND CEPHALOSPORINS BRISTOL MYERS COMPANY (US) 1983-03-29 US disclosed
US-4272437-A PENICILLINS BRISTOL-MYERS COMPANY (US) 1981-06-09 US disclosed
US-4068074-A BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-01-10 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 (4 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-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND CBR1, CBR3, DOHH CA1 850/4885CA2 18/4885FDPS 682/4885
US-20250282806-A1 CHEMICAL SYNTHESIS METHOD FOR DISACCHARIDE FRAGMENT OF VIBRIO VULNIFICUS BIOTYPE 2 SEROVAR A O-ANTIGEN OGA, DDOST, FUT6 CA1 530/4885CA2 197/4885FDPS 1146/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 CA1 3305/4885CA2 4516/4885FDPS 1709/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 CA1 2655/4885CA2 3495/4885FDPS 1547/4885

“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.