SCHEMBL18192037

SCHEMBL18192037

O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1.O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1.[Ca+2].[Ca+2]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
TIMP3 P35625 2/20 0.40
LMNA P02545 1/20 0.39
ING2 Q9H160 1/20 0.39
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
NT5E P21589 2/20 0.38
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CASP6 P55212 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
NSD2 O96028 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6292956 1.00 LCK (0.61) LCKFYNTIMP3LMNAING2
Zinc Ion SCHEMBL15387742 0.95 LCK (0.61) LCKFYNTIMP3LMNAING2
SCHEMBL6850489 0.95 LCK (0.61) LCKFYNTIMP3LMNAING2
Lithium Ion SCHEMBL433795 0.95 LCK (0.61) LCKFYNTIMP3LMNAING2
SCHEMBL258409 0.95 LCK (0.61) LCKFYNTIMP3LMNAING2
Potassium Ion SCHEMBL472665 0.95 LCK (0.61) LCKFYNTIMP3LMNAING2
Potassium Ion SCHEMBL28394777 0.93 LCK (0.59) LCKFYNTIMP3LMNAING2
Lithium Ion SCHEMBL28391984 0.93 LCK (0.59) LCKFYNTIMP3LMNAING2
SCHEMBL7714609 0.91 LCK (0.56) LCKFYNTIMP3LMNAING2
Butane SCHEMBL6296727 0.90 LCK (0.52) LCKFYNTIMP3LMNAING2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12629923-B2 Multilayer hollow container, method for manufacturing same, and method for manufacturing regenerated polyester MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-05-19 US disclosed
EP-4279406-B1 MULTI-LAYER HOLLOW CONTAINER, METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING REGENERATED POLYESTER MITSUBISHI GAS CHEMICAL CO (JP) 2025-06-11 EP disclosed
US-20240308189-A1 MULTILAYER HOLLOW CONTAINER, METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING REGENERATED POLYESTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-09-19 US disclosed
EP-4116090-B1 MULTILAYER CONTAINER, METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING RECLAIMED POLYESTER MITSUBISHI GAS CHEMICAL CO (JP) 2024-08-07 EP disclosed
EP-4105020-B1 MULTILAYER CONTAINER, METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING RECLAIMED POLYESTER MITSUBISHI GAS CHEMICAL CO (JP) 2024-07-10 EP disclosed
US-11858240-B2 Multilayer container, method for manufacturing same, and method for manufacturing reclaimed polyester MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-01-02 US disclosed
EP-4279406-A1 MULTI-LAYER HOLLOW CONTAINER, METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING REGENERATED POLYESTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-22 EP disclosed
US-20230356450-A1 SINGLE-LAYER CONTAINER, MANUFACTURING METHOD THEREOF, AND RECYCLED POLYESTER MANUFACTURING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-09 US disclosed
US-20230321943-A1 Multilayered Container And Method For Producing Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-12 US disclosed
US-11724848-B2 Multilayer container, method for manufacturing same, and method for manufacturing reclaimed polyester MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-08-15 US disclosed
EP-3296097-B1 MULTILAYER CONTAINER AND METHOD FOR PRODUCING REGENERATED POLYESTER MITSUBISHI GAS CHEMICAL CO (JP) 2019-05-01 EP disclosed
EP-3385308-A1 POLYESTER-BASED RESIN COMPOSITION AND PRODUCTION PROCESS THEREFOR, MOLDED OBJECT AND PRODUCTION PROCESS THEREFOR, AND MASTERBATCH Mitsubishi Gas Chemical Company, Inc. (JP) 2018-10-10 EP disclosed
US-20180273231-A1 MULTI-LAYER CONTAINER AND PRODUCTION METHOD THEREFOR, SINGLE-LAYER CONTAINER PRODUCTION METHOD, AND RECYCLED POLYESTER RESIN PRODUCTION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 US disclosed
US-10066099-B2 Polyester-based resin composition, and molded body using the resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-04 US disclosed
EP-3088466-B1 POLYESTER-BASED RESIN COMPOSITION, AND MOLDED BODY USING THE RESIN COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2018-08-22 EP disclosed
EP-3357690-A1 MULTI-LAYER CONTAINER AND PRODUCTION METHOD THEREFOR, SINGLE-LAYER CONTAINER PRODUCTION METHOD, AND RECYCLED POLYESTER RESIN PRODUCTION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2018-08-08 EP disclosed
EP-3296097-A1 MULTILAYER CONTAINER AND METHOD FOR PRODUCING REGENERATED POLYESTER Mitsubishi Gas Chemical Company, Inc. (JP) 2018-03-21 EP disclosed
US-20180072844-A1 MULTILAYER CONTAINER AND METHOD FOR PRODUCING REGENERATED POLYESTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-03-15 US disclosed
US-20170037239-A1 POLYESTER-BASED RESIN COMPOSITION, AND MOLDED BODY USING THE RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-02-09 US disclosed
EP-3088466-A1 POLYESTER-BASED RESIN COMPOSITION, AND MOLDED BODY USING THE RESIN COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2016-11-02 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 (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-12629923-B2 Multilayer hollow container, method for manufacturing same, and method for manufacturing regenerated polyester RARA, OTUB1, LIPA LCK 4397/4885FYN 4371/4885TIMP3 2806/4885

“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.