SCHEMBL4446245

SCHEMBL4446245

O=C([O-])c1ccc(Cl)cc1C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.52

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 3/20 0.52
▸ CA2 known ✓ P00918 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ERCC5 P28715 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ FLT1 P17948 2/20 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
SCHEMBL8822154 0.98 CA1 (0.50) CA1CA2ALDH1A1TP53TSHR
SCHEMBL28510712 0.95 ALDH1A1 (0.48) CA1CA2ALDH1A1TP53TSHR
SCHEMBL29637849 0.90 TSHR (0.59) CA1CA2ALDH1A1TP53TSHR
SCHEMBL653747 0.90 TSHR (0.59) CA1CA2ALDH1A1TP53TSHR
SCHEMBL8822155 0.90 TSHR (0.59) CA1CA2ALDH1A1TP53TSHR
SCHEMBL6231168 0.84 TSHR (0.63) CA1CA2ALDH1A1TP53TSHR
SCHEMBL29653755 0.84 TSHR (0.63) CA1CA2ALDH1A1TP53TSHR
SCHEMBL28343765 0.84 ALDH1A1 (0.63) CA1CA2ALDH1A1TP53TSHR
5-Chlorosalicylic Acid SCHEMBL429285 0.83 CA1 (0.64) CA1CA2ALDH1A1TP53SMN1; SMN2
Silver SCHEMBL1151256 0.80 TSHR (0.63) CA1CA2ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118649643-B Continuous chlorination reaction device and method for sodium 4-chlorophthalite 河北彩客新材料科技股份有限公司 2024-11-29 — — CN claimed
CN-118649643-A Continuous chlorination reaction device and method for sodium 4-chlorophthalite 河北彩客新材料科技股份有限公司 2024-09-17 — — CN claimed
CN-118702656-B Environment-friendly polyimide monomer preparation process 安徽秀朗新材料科技有限公司 2025-06-17 — — CN disclosed
CN-118702656-A Environment-friendly polyimide monomer preparation process 安徽秀朗新材料科技有限公司 2024-09-27 — — CN disclosed
CN-117003634-A Method for removing impurities in reaction liquid in production of biphenyl tetracarboxylic acid 河北东丽新材料有限公司 2023-11-07 — — CN disclosed
CN-113717136-B Synthesis method of 3,3', 4' -biphenyl tetracarboxylic dianhydride 江西师范大学 2023-05-09 — — CN disclosed
CN-114478234-B Refining method of 4-chlorophthalic acid monosodium salt crude product 河北海力恒远新材料股份有限公司 2023-03-31 — — CN disclosed
CN-114656351-B Method for treating 4-chlorophthalic acid or monosodium salt production wastewater thereof 河北海力香料股份有限公司 2022-08-26 — — CN disclosed
CN-114656351-A Method for treating 4-chlorophthalic acid or monosodium salt production wastewater thereof 河北海力香料股份有限公司 2022-06-24 — — CN disclosed
CN-114478234-A Refining method of 4-chlorophthalic acid monosodium salt crude product 河北海力香料股份有限公司 2022-05-13 — — CN disclosed
CN-114084994-B Treatment method of BPDA series acidified waste brine 河北海力香料股份有限公司 2022-05-03 — — CN disclosed
US-5047560-A Process for producing highly pure 3,3',4,4'-biphenyltetracarboxylic acid or dianhydride thereof HITACHI, LTD. (JP) 1991-09-10 — — US disclosed
EP-0421046-A1 Process for producing highly pure 3,3',4,4' - biphenyltetra- carboxylic acid or dianhydride thereof HITACHI, LTD. (JP) 1991-04-10 — — EP disclosed
EP-0409172-A2 Process for dimerizing aromatic halogen compounds MITSUBISHI KASEI CORPORATION (JP) 1991-01-23 — — EP disclosed
US-4900843-A Method for dimerization of aromatic halide compounds MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1990-02-13 — — US disclosed
EP-0318634-A1 Process for dimerization of aromatic halide compounds MITSUBISHI KASEI CORPORATION (JP) 1989-06-07 — — EP disclosed
US-4727185-A Process for preparation of 3,3',4,4'-biphenyltetracarboxylic acid salts HITACHI, LTD. (JP) 1988-02-23 — — US disclosed
US-4595470-A Process for the preparation of benzene polycarboxylic acids SUGITA NOBUYUKI (JP) 1986-06-17 — — US disclosed
US-3965125-A Synthesis of certain bis(phthalic anhydrides) TRW INC. (US) 1976-06-22 — — US disclosed
US-3965125-A Synthesis of certain bis(phthalic anhydrides) TRW INC. (US) 1976-06-22 — — US disclosed
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