SCHEMBL137806

SCHEMBL137806

CCCc1cc(O)ccc1C(=O)[O-].[Na+]

nearest known ligand 0.45

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 2/20 0.40
CA2 known ✓ P00918 2/20 0.40
CA12 known ✓ O43570 1/20 0.40
ESR2 known ✓ Q92731 1/20 0.39
ALOX5 known ✓ P09917 1/20 0.38
HSD17B3 P37058 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CA7 P43166 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
Water SCHEMBL8361961 0.98 HSD17B3 (0.44) HSD17B3PTPN1PTPN11HSP90AB1KDM4E
Potassium Ion SCHEMBL851715 0.97 HSD17B3 (0.45) HSD17B3PTPN1PTPN11HSP90AB1KDM4E
Zinc Ion SCHEMBL11170436 0.97 HSD17B3 (0.45) HSD17B3PTPN1PTPN11HSP90AB1KDM4E
Paraben SCHEMBL3515235 0.92 CA1 (0.53) HSD17B3PTPN1PTPN11HSP90AB1KDM4E
SCHEMBL2325181 0.90 TYR (0.53) HSP90AB1KDM4EHTTMAPTCA1
SCHEMBL344000 0.90 TYR (0.53) HSP90AB1KDM4EHTTMAPTCA1
SCHEMBL729988 0.87 HSD17B1 (0.50) HSD17B3HSP90AB1KDM4EHTTCA1
SCHEMBL5152452 0.87 TYR (0.53) HSD17B3HSP90AB1KDM4EHTTMAPT
Potassium Ion SCHEMBL761984 0.87 TYR (0.53) HSD17B3HSP90AB1KDM4EHTTMAPT
Potassium Ion SCHEMBL1012149 0.84 HSD17B1 (0.50) HSD17B3HSP90AB1KDM4EHTTCA1

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

Appears in 3257 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120983376-B Clofazimine soft capsule and preparation method thereof SHANXI LIYE PHARMACEUTICAL Co.,Ltd. (CN) 2026-05-26 CN claimed
EP-4743053-A1 ANTIMICROBIAL SYNERGIES Symrise AG (DE) 2026-05-20 EP claimed
US-20260124120-A1 STABILIZED AQUEOUS COMPOSITIONS CONTAINING HYDROXYAPTITE AND FREE IONS FOR IN VIVO REMINERALIZATION OF CALCIFIED TISSUE & THEIR METHODS OF USE INTER MED INC (US) 2026-05-07 US claimed
WO-2026088186-A1 FERMENTED AND DEHYDRATED ALOE GEL PRODUCT AND PROCESS FOR THE PREPARATION THEREOF YOSHAY IDO MOSHE (IL) 2026-04-30 WO claimed
US-12595237-B2 Lamotrigine hydrate crystal form, preparation method therefor, and composition containing same SHANGHAI AUCTA PHARMACEUTICALS CO., LTD. (CN) 2026-04-07 US claimed
EP-4554551-B1 3-HYDROXYPROPYLESTERS AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2026-03-11 EP claimed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US claimed
EP-3843703-B1 PARACETAMOL LIQUID SUSPENSIONS HALEON CH SARL (CH) 2025-11-05 EP claimed
WO-2025217640-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES ELI LILLY AND COMPANY (US) 2025-10-16 WO claimed
EP-4628073-A1 COMPOSITION CONTAINING TRETINOIN, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING INDETEK LABORATORY CO., LTD. (CN) 2025-10-08 EP claimed
US-6495148-B1 HIGH MOLECULAR WEIGHT POLYURONIC ACIDS USED AS MOISTURIZERS AND FOR PREVENTION OF SKIN DISORDERS, ULCERS, WRINKLES, DRYNESS OR AGING ABBIATI GIULIANA (IT) 2002-12-17 US claimed
WO-2001089544-A1 ANTIMIGRAINE COMBINATION COMPRISING SAPINDUS AND EMBLICA EXTRACTS LUPIN LABORATORIES LIMITED (IN) 2001-11-29 WO claimed
EP-1137671-A1 REACTION PRODUCTS OF HYALURONIC ACID AND NATURAL AMINO ACIDS AND THEIR USE IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS Jasper Ltd. Liability Co. (US) 2001-10-04 EP claimed
EP-0991704-A4 PRODUCTION OF POLYORGANOPHOSPHAZENES HAVING DESIRED MOLECULAR WEIGHTS AVANT IMMUNOTHERAPEUTICS INC (US) 2000-08-30 EP claimed
CN-1256706-A Non-drying adhesive composition for treating surfaces HENKEL ECOLAB GMBH & CO OHG (DE) 2000-06-14 CN claimed
EP-0991704-A1 PRODUCTION OF POLYORGANOPHOSPHAZENES HAVING DESIRED MOLECULAR WEIGHTS Avant Immunotherapeutics, Inc. (US) 2000-04-12 EP claimed
WO-2000008061-A1 REACTION PRODUCTS OF HYALURONIC ACID AND NATURAL AMINO ACIDS AND THEIR USE IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS JASPER LTD. LIABILITY CO. (US) 2000-02-17 WO claimed
US-5869016-A REACTING POLYDICHLOROPHOSPHAZENE AND NUCLEOPHILIC REAGENT TO PRODUCE SUBSTITUTED POLYORGANOPHOSPHAZENE, ADDING WATER VIRUS RESEARCH INSTITUTE, INC. (US) 1999-02-09 US claimed
WO-1998058014-A1 PRODUCTION OF POLYORGANOPHOSPHAZENES HAVING DESIRED MOLECULAR WEIGHTS AVANT IMMUNOTHERAPEUTICS, INC. (US) 1998-12-23 WO claimed
EP-0506563-B1 Suspension containing alginic acid PF MEDICAMENT (FR) 1995-01-04 EP claimed