SCHEMBL729988

SCHEMBL729988

CCc1cc(O)ccc1C(=O)[O-].[Na+]

nearest known ligand 0.50

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 5/20 0.43
CA2 known ✓ P00918 5/20 0.43
CA12 known ✓ O43570 4/20 0.43
PDK2 known ✓ Q15119 1/20 0.39
PDK4 known ✓ Q16654 1/20 0.39
HSD17B1 P14061 1/20 0.50
HSP90AB1 P08238 1/20 0.47
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41
CES2 O00748 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
SERPINE1 P05121 1/20 0.38

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
Zinc Ion SCHEMBL11175859 0.96 HSD17B1 (0.50) HSD17B1HSP90AB1CA1CA2CA12
Potassium Ion SCHEMBL1012149 0.96 HSD17B1 (0.50) HSD17B1HSP90AB1CA1CA2CA12
SCHEMBL3873140 0.93 CA1 (0.47) HSD17B1HSP90AB1CA1CA2CA12
SCHEMBL137806 0.87 HSD17B3 (0.45) HSD17B1HSP90AB1CA1CA2CA12
Water SCHEMBL8361961 0.86 HSD17B3 (0.44) HSD17B1HSP90AB1CA1CA2CA12
SCHEMBL2325181 0.84 TYR (0.53) HSP90AB1CA1CA2CA12CA7
SCHEMBL344000 0.84 TYR (0.53) HSP90AB1CA1CA2CA12CA7
Ethylparaben SCHEMBL3873139 0.84 CA12 (0.62) CA1CA2CA12CA7CA9
Potassium Ion SCHEMBL851715 0.84 HSD17B3 (0.45) HSD17B1HSP90AB1CA1CA2CA12
Zinc Ion SCHEMBL11170436 0.84 HSD17B3 (0.45) HSD17B1HSP90AB1CA1CA2CA12

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

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
CN-119905535-B Olivine sodium iron phosphate composite material and preparation method and application thereof 四川易纳能新能源科技有限公司 2026-05-15 CN 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
EP-4554551-B1 3-HYDROXYPROPYLESTERS AS ANTIMICROBIAL AGENTS SYMRISE AG (DE) 2026-03-11 EP claimed
EP-3843703-B1 PARACETAMOL LIQUID SUSPENSIONS HALEON CH SARL (CH) 2025-11-05 EP claimed
US-20250281426-A1 R-KETAMINE LIQUID PREPARATION AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2025-09-11 US claimed
EP-4608929-A1 BRIDGING PARTICLE AND FLUID LOSS CONTROL AGENT LyondellBasell Advanced Polymers Inc. (US) 2025-09-03 EP claimed
US-12338390-B2 Bridging particle and fluid loss control agent LYONDELLBASELL ADVANCED POLYMERS INC. (US) 2025-06-24 US claimed
EP-4554551-A1 3-HYDROXYPROPYLESTERS AS ANTIMICROBIAL AGENTS Symrise AG (DE) 2025-05-21 EP claimed
EP-2091892-A2 CALCIUM FORMIATE FERTILISER Lanxess Deutschland GmbH (DE) 2009-08-26 EP claimed
US-20080312195-A1 Preservatives CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-12-18 US claimed
WO-2008058936-A2 CALCIUM FORMIATE FERTILISER LANXESS DEUTSCHLAND GMBH (DE) 2008-05-22 WO claimed
EP-1845934-B1 PRESERVATIVES CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-05-14 EP claimed
EP-1793925-A2 IMPREGNATED FILTER ELEMENTS, AND METHODS DONALDSON COMPANY, INC. (US) 2007-06-13 EP claimed
EP-1452169-B1 AQUEOUS BASE LIQUID PHARMACEUTICAL COMPOSITIONS IN SUSPENSION FORM FOR THE ORAL ADMINISTRATION OF IBUPROFEN FARMALIDER SA (ES) 2007-01-24 EP claimed
US-7128923-B2 Preserved and stable compositions containing peptide copper complexes and method related thereto PROCYTE CORPORATION (US) 2006-10-31 US claimed
WO-2006026517-A2 IMPREGNATED FILTER ELEMENTS, AND METHODS DONALDSON COMPANY, INC. (US) 2006-03-09 WO claimed
US-20060042210-A1 Acidic impregnated filter element, and methods DONALDSON COMPANY, INC. 2006-03-02 US claimed
EP-1452169-A1 AQUEOUS BASE LIQUID PHARMACEUTICAL COMPOSITIONS IN SUSPENSION FORM FOR THE ORAL ADMINISTRATION OF IBUPROFEN Farmalider, S.A. (ES) 2004-09-01 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 (1 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-20250281426-A1 R-KETAMINE LIQUID PREPARATION AND USE THEREOF GRIK5, GRIK1, GRIK3 CA1 3689/4885CA2 3754/4885CA12 4470/4885

“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.