SCHEMBL6817543

SCHEMBL6817543

CCCCOCCOS(=O)(=O)[O-].[Na+]

nearest known ligand 0.64

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 10/20 0.43
CA2 known ✓ P00918 10/20 0.43
THRB known ✓ P10828 1/20 0.38
CA12 known ✓ O43570 3/20 0.36
CA4 known ✓ P22748 2/20 0.36
TSHR P16473 4/20 0.64
HPGD P15428 3/20 0.64
RECQL P46063 2/20 0.64
GLA P06280 1/20 0.64
MAPK1 P28482 1/20 0.64
EPHX2 P34913 1/20 0.64
BLM P54132 1/20 0.64
CYP3A4 P08684 1/20 0.45
CA9 Q16790 8/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA7 P43166 3/20 0.36

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
Lithium Ion SCHEMBL17456604 0.96 TSHR (0.59) TSHRHPGDRECQLGLAMAPK1
Potassium Ion SCHEMBL12485367 0.96 TSHR (0.59) TSHRHPGDRECQLGLAMAPK1
SCHEMBL9186645 0.96 TSHR (0.59) TSHRHPGDRECQLGLAMAPK1
SCHEMBL2568777 0.94 TSHR (0.74) TSHRHPGDRECQLGLAMAPK1
SCHEMBL2729998 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1
SCHEMBL2730477 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1
SCHEMBL818230 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1
SCHEMBL818842 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1
SCHEMBL15206914 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1
SCHEMBL10765886 0.92 RECQL (0.78) TSHRHPGDRECQLGLAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2025-02-13 US claimed
US-20240423888-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2024-12-26 US claimed
CN-118871078-A Cosmetic or dermatological composition comprising at least a merocyanine and a hydrotrope 欧莱雅 2024-10-29 CN claimed
EP-4447895-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2024-10-23 EP claimed
CN-118804735-A Cosmetic and/or dermatological composition comprising at least one merocyanine and at least ascorbic acid and/or derivatives thereof 莱雅公司 2024-10-18 CN claimed
WO-2023110763-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2023-06-22 WO claimed
US-9585893-B2 Flumazenil complexes, compositions comprising same and uses thereof COERULEUS LTD. (IL) 2017-03-07 US claimed
US-20130345202-A1 Flumazenil Complexes, Compositions Comprising Same And Uses Thereof COERULEUS LTD. (IL) 2013-12-26 US claimed
WO-2012114342-A1 FLUMAZENIL COMPLEXES, COMPOSITIONS COMPRISING SAME AND USES THEREOF COERULEUS LTD. (IL) 2012-08-30 WO claimed
EP-0051232-B1 HAND CLEANER Henkel Kommanditgesellschaft auf Aktien (DE) 1984-09-19 EP claimed
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2025-02-13 US disclosed
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2025-02-13 US disclosed
US-20250025393-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND DIPROPYLENE GLYCOL L'OREAL (FR) 2025-01-23 US disclosed
US-20250009625-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AT LEAST ONE DIOL COMPRISING FROM 4 TO 7 CARBON ATOMS L'OREAL (FR) 2025-01-09 US disclosed
US-20240423888-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2024-12-26 US disclosed
US-6087353-A Phytosterol compositions and use thereof in foods, beverages, pharmaceuticals, nutraceuticals and the like FORBES MEDI-TECH INC. (CA) 2000-07-11 US disclosed
WO-2000015201-A2 COMPOSITIONS COMPRISING ONE OR MORE PHYTOSTEROLS, PHYTOSTANOLS OR MIXTURES OF BOTH AND ONE OR MORE ALPHA, BETA, DELTA, OR GAMMA TOCOTRIENOLS OR DERIVATIVES THEREOF AND USE OF THE COMPOSITIONS IN TREATING OR PREVENTING CARDIOVASCULAR DISEASE, ITS UNDERLYING CONDITIONS AND OTHER DISORDERS FORBES MEDI-TECH INC. (CA) 2000-03-23 WO disclosed
WO-2000004887-A2 COMPOSITIONS COMPRISING PHYTOSTEROL, PHYTOSTANOL OR MIXTURES OF BOTH AND OMEGA-3 FATTY ACIDS OR DERIVATIVES THEREOF AND USE OF THE COMPOSITION IN TREATING OR PREVENTING CARDIOVASCULAR DISEASE AND OTHER DISORDERS FORBES MEDI-TECH INC. (CA) 2000-02-03 WO disclosed
WO-1999063841-A1 COMPOSITIONS COMPRISING PHYTOSTEROL AND/OR PHYTOSTANOL HAVING ENHANCED SOLUBILITY AND DISPERSABILITY FORBES MEDI-TECH INC. (CA) 1999-12-16 WO disclosed
WO-1999059421-A1 ESTERIFIED AND SUBSEQUENTLY HYDROGENATED PHYTOSTEROL COMPOSITIONS AND USE THEREOF IN FOODS, BEVERAGES, PHARMACEUTICALS, NUTRACEUTICALS AND THE LIKE FORBES MEDI-TECH INC. (CA) 1999-11-25 WO 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-20250009625-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AT LEAST ONE DIOL COMPRISING FROM 4 TO 7 CARBON ATOMS KRT18, DSC1, ECH1 CA1 2303/4885CA2 1581/4885THRB 4382/4885
US-20240423888-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF KRT18, PROC, DSC1 CA1 1327/4885CA2 797/4885THRB 4707/4885
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE NAPRT, NAMPT, NNMT CA1 440/4885CA2 393/4885THRB 4187/4885
US-20250025393-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND DIPROPYLENE GLYCOL KRT18, DSC1, DSG1 CA1 1636/4885CA2 870/4885THRB 4513/4885

“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.