SCHEMBL67299

SCHEMBL67299

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

nearest known ligand 0.52

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 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.44
▸ CES1 P23141 9/20 0.52
▸ FAAH O00519 8/20 0.52
▸ CES2 O00748 6/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL5424532 1.00 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434320 1.00 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL157582 1.00 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434216 1.00 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434474 1.00 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL3420477 0.98 FAAH (0.50) CES1FAAHCES2MEN1CYP1A2
SCHEMBL8050067 0.96 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
Potassium Ion SCHEMBL8081715 0.96 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL8038894 0.96 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
Potassium Ion SCHEMBL8074283 0.96 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 — — CN claimed
CN-119161927-A Composition for contact lens and method for maintaining contact lens 晶硕光学股份有限公司 2024-12-20 — — CN claimed
CN-119031839-A Compositions comprising an antimicrobial agent and an alkyl ketal ester compound 西姆莱斯股份公司 2024-11-26 — — CN claimed
CN-118512422-A Burisperidone oral film-dissolving agent and preparation method thereof 上海欣峰制药有限公司 2024-08-20 — — CN claimed
CN-118436602-A External honokiol cream and preparation method and application thereof 四川大学华西医院 2024-08-06 — — CN claimed
CN-117858620-A Antimicrobial combinations 西姆莱斯有限公司 2024-04-09 — — CN claimed
CN-117813075-A Preservative for cosmetic and pharmaceutical compositions 赛成公司 2024-04-02 — — CN claimed
CN-117752035-A Method for removing purine from soybean plant protein powder and application 黑河市坤鹏生物科技有限公司 2024-03-26 — — CN claimed
CN-117460810-A Transparent soap bar 宝洁公司 2024-01-26 — — CN claimed
CN-117398320-A Composition for cleaning skin and preparation method and application thereof 中国日用化学研究院有限公司 2024-01-16 — — CN claimed
EP-2277860-A1 Compositions comprising sulfonated estolides and alkyl ester sulfonates, methods of making them, and compositions and processes employing them STEPAN COMPANY (US) 2011-01-26 — — EP claimed
EP-2270122-A2 Sulfonated estolides and other derivatives of fatty acids, methods of making them, and compositions and processes employing them STEPAN COMPANY (US) 2011-01-05 — — EP claimed
EP-2247574-A2 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STEPAN COMPANY (US) 2010-11-10 — — EP claimed
US-7666828-B2 Sulfonated estolides and other derivatives of fatty acids, methods of making them, and compositions and processes employing them STEPAN COMPANY (US) 2010-02-23 — — US claimed
US-20100017969-A1 Sulfonated Estolide Compositions Containing Magnesium Sulfate and Processes Employing Them STEPAN COMPANY 2010-01-28 — — US claimed
US-20100016198-A1 Compositions Comprising Sulfonated Estolides And Alkyl Ester Sulfonates, Methods Of Making Them, And Compositions And Processes Employing Them STEPAN COMPANY 2010-01-21 — — US claimed
WO-2009094336-A2 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STEPAN COMPANY (US) 2009-07-30 — — WO claimed
US-20090188055-A1 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STEPAN COMPANY (US) 2009-07-30 — — US claimed
EP-1286655-B1 TOPICAL COMPOSITION CONTAINING AT LEAST ONE ARYL OXIME, AND METHOD FOR THE PREPARATION THEREOF MERCK PATENT GMBH (DE) 2006-09-13 — — EP claimed
US-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MERCK PATENT GMBH (DE) 2003-09-18 — — US 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 (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-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MGLL, LIPA, GLO1 CA2 90/4885CES1 420/4885FAAH 79/4885
US-20090188055-A1 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STS, ABHD16A, HDHD5 CA2 2685/4885CES1 216/4885FAAH 12/4885
US-20100016198-A1 Compositions Comprising Sulfonated Estolides And Alkyl Ester Sulfonates, Methods Of Making Them, And Compositions And Processes Employing Them STS, ABHD16A, DEGS1 CA2 4632/4885CES1 538/4885FAAH 245/4885

“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.

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