Butane

Butane

SCHEMBL18192040

CCCC.O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1.[Na+].[Na+]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Butane. 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
CA2 known ✓ P00918 8/20 0.37
CA1 known ✓ P00915 6/20 0.37
CA12 known ✓ O43570 2/20 0.33
CA4 known ✓ P22748 1/20 0.33
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
S1PR3 Q99500 1/20 0.36
TIMP3 P35625 1/20 0.35
CA9 Q16790 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
UGT1A7 Q9HAW7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
LMNA P02545 1/20 0.33
ING2 Q9H160 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
Butane SCHEMBL6296727 0.96 LCK (0.52) LCKFYNCA2CA1S1PR3
Butane SCHEMBL6855826 0.96 LCK (0.52) LCKFYNCA2CA1S1PR3
SCHEMBL258409 0.90 LCK (0.61) LCKFYNCA2CA1TIMP3
Potassium Ion SCHEMBL28394777 0.88 LCK (0.59) LCKFYNCA2CA1TIMP3
Lithium Ion SCHEMBL28391984 0.88 LCK (0.59) LCKFYNCA2CA1TIMP3
SCHEMBL18192037 0.86 LCK (0.61) LCKFYNCA2CA1TIMP3
SCHEMBL6292956 0.86 LCK (0.61) LCKFYNCA2CA1TIMP3
Zinc Ion SCHEMBL15387742 0.86 LCK (0.61) LCKFYNCA2CA1TIMP3
SCHEMBL6850489 0.86 LCK (0.61) LCKFYNCA2CA1TIMP3
Lithium Ion SCHEMBL433795 0.86 LCK (0.61) LCKFYNCA2CA1TIMP3

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 40 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 CA2 1485/4885CA1 1377/4885CA12 2505/4885

“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.