SCHEMBL1998732

SCHEMBL1998732

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

nearest known ligand 0.96

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 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.96
CA2 known ✓ P00918 2/20 0.64
FDPS known ✓ P14324 3/20 0.47
GPR84 Q9NQS5 4/20 0.58
NFKB1 P19838 2/20 0.55
ACE2 Q9BYF1 1/20 0.52
FFAR1 O14842 2/20 0.47
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
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 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
SCHEMBL8586952 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL28024784 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL17581512 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL28727420 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL28727500 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL8978718 1.00 CA1 (0.96) CA1CA2GPR84NFKB1ACE2
SCHEMBL15022175 0.98 CA1 (0.95) CA1CA2GPR84NFKB1ACE2
SCHEMBL8678860 0.98 CA1 (1.00) CA1CA2GPR84NFKB1ACE2
SCHEMBL15022016 0.98 CA1 (0.95) CA1CA2GPR84NFKB1ACE2
SCHEMBL15022951 0.98 CA1 (0.95) CA1CA2GPR84NFKB1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108445-A1 CREAMY SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO L'OREAL (FR) 2026-04-23 US claimed
CN-119799421-A Cleaning agent and preparation method and application thereof 四川高景太阳能科技有限公司 2025-04-11 CN claimed
CN-115397522-B Composition comprising preservative of natural origin 联合利华知识产权控股有限公司 2024-09-17 CN claimed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems BEAUTY BIOLABS LLC (US) 2026-05-19 US disclosed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-20260108445-A1 CREAMY SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO L'OREAL (FR) 2026-04-23 US disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
US-20080095729-A1 Aqueous fatty quaternary amine-containing systems for water-insoluble materials L'OREAL (FR) 2008-04-24 US disclosed
US-20030022799-A1 A SHAMPOO FOAMING COMPOSITION WHICH COMPRISES AN ALKYL ETHER SULFATE, A SORBITAN DERIVATIVE, A BETAINE, AN ALKYLAMIDO ALKYLAMINE, AN ALKOXYLATED CARBOXYLIC ACID, AND AN ORGANIC SALT UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-01-30 US disclosed
EP-1185605-A1 BLEACHING AND DISINFECTING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP disclosed
US-6204235-B1 IN THE FORM OF MICROCAPSULES WHICH ARE STABLE IN ACTIVE CHLORINE FORMULATION AND DO NOT UNDERGO DECOMPOSITION OR SEDIMENTATION; IN BLEACHES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-20 US disclosed
WO-2000077145-A1 BLEACHING AND DISINFECTING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-21 WO disclosed
WO-2000032733-A1 ACTIVATED CHLORINE-CONTAINING PREPARATIONS WITH STABILIZED OPTICAL BRIGHTENING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
WO-2000032735-A1 ACTIVE CHLORINE-CONTAINING PREPARATIONS WITH STABILIZED FRAGRANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
US-4146636-A 2,5-DIHYDROXY BENZENE SULPHONIC ACIDS FOR SCALP TREATMENT ESTEVE SOLER JOSE 1979-03-27 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 (6 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-20260108445-A1 CREAMY SILICONE AND SULFATE-FREE CONDITIONING SHAMPOO SMURF1, SGMS1, SGMS2 CA1 2009/4885CA2 2508/4885FDPS 4083/4885
US-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH CA1 2904/4885CA2 737/4885FDPS 3152/4885
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems KRT18, HCN4, COL14A1 CA1 455/4885CA2 154/4885FDPS 4362/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 CA1 4875/4885CA2 4525/4885FDPS 2706/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB CA1 1939/4885CA2 1876/4885FDPS 2079/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 CA1 1298/4885CA2 332/4885FDPS 1905/4885

“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.