SCHEMBL346543

SCHEMBL346543

CC(C)c1cc(C(C)C)c(S(=O)[O-])c(C(C)C)c1.[Na+]

nearest known ligand 0.44

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 7)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 1/20 0.41
GABRB2 known ✓ P47870 1/20 0.41
FABP4 P15090 3/20 0.44
FABP3 P05413 2/20 0.44
FABP5 Q01469 1/20 0.42
NMT1 P30419 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL1033043 0.96 FABP4 (0.44) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL1021278 0.96 FABP4 (0.44) FABP4FABP3FABP5GABRA1GABRB2
Potassium Ion SCHEMBL1022542 0.96 FABP4 (0.44) FABP4FABP3FABP5GABRA1GABRB2
Sulfurous Acid SCHEMBL30356309 0.82 FABP4 (0.44) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL345363 0.77 FABP4 (0.50) FABP4FABP3FABP5GABRA1GABRB2
Calcium SCHEMBL29853758 0.75 FABP4 (0.48) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL1033044 0.75 FABP4 (0.48) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL1022543 0.75 FABP4 (0.48) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL1021280 0.75 FABP4 (0.48) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL346544 0.75 FABP4 (0.48) FABP4FABP3FABP5GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226060-B1 CEMENT FOR DENTAL APPLICATIONS KURARAY NORITAKE DENTAL INC (JP) 2020-03-04 EP claimed
EP-2409997-B1 REDOX-CURING TYPE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2016-11-16 EP claimed
US-8552088-B2 Cement for dental applications KURARAY NORITAKE DENTAL INC. (JP) 2013-10-08 US claimed
US-8545225-B2 Redox-curing type composition KURARAY NORITAKE DENTAL INC. (JP) 2013-10-01 US claimed
EP-2409997-A1 REDOX-CURING TYPE COMPOSITION Kuraray Medical Inc. (JP) 2012-01-25 EP claimed
US-20120016094-A1 REDOX-CURING TYPE COMPOSITION KURARAY MEDICAL INC. (JP) 2012-01-19 US claimed
US-20100267856-A1 CEMENT FOR DENTAL APPLICATIONS KURARAY MEDICAL INC. (JP) 2010-10-21 US claimed
EP-2226060-A1 CEMENT FOR DENTAL APPLICATIONS Kuraray Medical Inc. (JP) 2010-09-08 EP claimed
CN-116635452-B Free radically polymerizable crosslinking agent, curable composition, and adhesive therefrom 3M INNOVATIVE PROPERTIES CO. (US) 2026-05-26 CN disclosed
US-12622847-B2 Organosilicon compound and dental composition containing same KURARAY NORITAKE DENTAL INC. (JP) 2026-05-12 US disclosed
EP-4717249-A1 DENTAL COMPOSITION Shofu Inc. (JP) 2026-04-01 EP disclosed
US-20260083644-A1 METHOD FOR PRODUCING DENTAL POLYMERIZABLE COMPOSITION OR DENTAL POLYMERIZABLE COMPOSITION INTERMEDIATE SHOFU INC (JP) 2026-03-26 US disclosed
US-20260083642-A1 DENTAL COMPOSITION SHOFU INC (JP) 2026-03-26 US disclosed
US-20250381101-A1 HIGHLY FLOWABLE DENTAL CURABLE COMPOSITION SHOFU INC. (JP) 2025-12-18 US disclosed
US-6387979-B1 FOR TOOTH TISSUE KURARAY CO., LTD. (JP) 2002-05-14 US disclosed
EP-1057468-A1 Adhesive composition and method for producing it KURARAY CO., LTD. (JP) 2000-12-06 EP disclosed
EP-1051961-A1 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2000-11-15 EP disclosed
US-5486544-A AROMATIC SULFINATE POLYMERIZATION CATALYST KURARAY CO., LTD. (JP) 1996-01-23 US disclosed
EP-0408357-B1 Polymerizable composition KURARAY CO (JP) 1994-06-01 EP disclosed
EP-0408357-A2 Polymerizable composition KURARAY CO., LTD. (JP) 1991-01-16 EP 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-20260083644-A1 METHOD FOR PRODUCING DENTAL POLYMERIZABLE COMPOSITION OR DENTAL POLYMERIZABLE COMPOSITION INTERMEDIATE ARCN1, LBR, POLL GABRA1 2670/4885GABRB2 2862/4885FABP4 4146/4885
US-20250381101-A1 HIGHLY FLOWABLE DENTAL CURABLE COMPOSITION RCC1, H1-0, H1-3 GABRA1 3737/4885GABRB2 4652/4885FABP4 4221/4885
US-12622847-B2 Organosilicon compound and dental composition containing same MSL1, ITGA1, ITGAL GABRA1 4487/4885GABRB2 4777/4885FABP4 4707/4885
US-20260083642-A1 DENTAL COMPOSITION TAS2R42, COL2A1, TAS2R1 GABRA1 3881/4885GABRB2 4494/4885FABP4 2043/4885

“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.