SCHEMBL671818

SCHEMBL671818

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

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
THRB known ✓ P10828 1/20 0.39
RECQL P46063 2/20 0.40
CES2 O00748 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37

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
SCHEMBL31402373 1.00 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL28690849 1.00 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL28709042 1.00 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL28690847 1.00 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL2726851 0.99 MEN1 (0.41) RECQLCES2GLAHPGDTSHR
SCHEMBL8000985 0.99 RECQL (0.39) RECQLCES2GLAHPGDTSHR
Phosphoric Acid SCHEMBL28320584 0.95 LPAR5 (0.39) RECQLCES2GLAHPGDTSHR
SCHEMBL28664374 0.92 EPHX2 (0.47) EPHX2
Dodecane SCHEMBL27642194 0.91 CA2 (0.46) EPHX2CA2CPT2CPT1ACPT1B
Octane SCHEMBL28131914 0.91 CA2 (0.46) EPHX2CA2CPT2CPT1ACPT1B

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 1100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110325171-B Skin and hand cleaning compositions comprising brushing material 德比IP有限公司 2024-06-28 CN claimed
CN-117024781-A Nanocellulose composite conductive lubricating hydrogel and preparation method thereof 季华实验室 2023-11-10 CN claimed
US-20230329232-A1 Low Viscosity Agricultural Adjuvant for Spraying Syrups and Method of Production Forquimica Agrociencia Ltda (BR) 2023-10-19 US claimed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP claimed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN claimed
CN-112654246-B Herbicidal compositions with improved properties 拜耳公司 2023-01-03 CN claimed
US-11382844-B2 Shampoo composition and method of use CONOPCO, INC. (US) 2022-07-12 US claimed
US-11376209-B2 Antidandruff composition and method of use CONOPCO, INC. (US) 2022-07-05 US claimed
CN-114617801-A Formula and processing method of peony seed oil skin-moistening hand sanitizer 徐波 2022-06-14 CN claimed
US-11260008-B2 Hair treatment composition CONOPCO, INC. (US) 2022-03-01 US claimed
WO-2003067989-A1 ENHANCED ACTIVITY HYDROGEN PEROXIDE DISINFECTANT VIROX TECHNOLOGIES INC. (CA) 2003-08-21 WO claimed
CN-1117558-C Compositions containing an antifungal and a sulfur compound JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 CN claimed
EP-0741519-B1 USE OF A COMBINATION OF A TERPENE ALCOHOL AND A NON-BACTERICIDAL SURFACTANT AS A BACTERICIDAL MIXTURE, AND RESULTING COMPOSITION ACTION PIN (FR) 2000-03-08 EP claimed
CN-1242701-A Compositions contg. antifungal and cationic agent JANSSEN PHARMACEUTICA NV (BE) 2000-01-26 CN claimed
CN-1242696-A Composition containing fungicide and phospholipid JANSSEN PARMACEUTICA N V (BE) 2000-01-26 CN claimed
CN-1231172-A Powder compositions for making up and/or dermatosis treating using ascorbic acid as main composition OREAL (FR) 1999-10-13 CN claimed
CN-1211177-A Compositions containing an antifungal and a sulfur compound JANSSEN PHARMACEUTICA NV (BE) 1999-03-17 CN claimed
EP-0542526-B1 Skin cleansing compositions UNILEVER PLC (GB) 1997-04-23 EP claimed
EP-0271186-B1 HYDROXYINDOLES AND THEIR USE IN DYEING REPLIGEN CORPORATION (US) 1992-12-30 EP claimed
EP-0271186-A1 Hydroxyindoles and their use in dyeing REPLIGEN CORPORATION (US) 1988-06-15 EP 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 (2 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-11376209-B2 Antidandruff composition and method of use ACR, SMURF1, POLR1C CA2 4073/4885THRB 3585/4885RECQL 2655/4885
US-11382844-B2 Shampoo composition and method of use CUTA, PCNA, ACR CA2 3556/4885THRB 3281/4885RECQL 2556/4885

“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.