Butadiene

Butadiene

SCHEMBL5086702

C=CC=C.O=C(O)O.O=C(O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Butadiene. 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
LMNA P02545 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 6/20 0.40
ALDH1A1 P00352 5/20 0.40
FGFR4 P22455 1/20 0.40
TRPA1 O75762 1/20 0.39
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
AKT1 P31749 1/20 0.32
ACHE P22303 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Butadiene SCHEMBL37186 1.00
Butadiene SCHEMBL28233035 0.95
Butadiene SCHEMBL28898214 0.95 LMNA (0.50) LMNACA1CA2CA9TSHR
Butadiene SCHEMBL3066828 0.95
Butadiene SCHEMBL28174422 0.88 LMNA (0.44) LMNACA1CA2CA9TSHR
Butadiene SCHEMBL29085600 0.88 LMNA (0.44) LMNACA1CA2CA9TSHR
Oxalic Acid SCHEMBL17985765 0.86 LMNA (0.50) LMNACA1CA2CA9TSHR
Butadiene SCHEMBL11197818 0.84
Acrylic Acid SCHEMBL5971713 0.82 LMNA (0.83) LMNACA1CA2CA9TSHR
Butadiene SCHEMBL10491798 0.82 LMNA (0.47) LMNACA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025083313-A1 METHOD FOR PRODUCING CYCLIC CARBONATES FROM CO2 BY USING MXENES AS CATALYSTS UNIVERSITAT POLITÈCNICA DE VALÈNCIA (ES) 2025-04-24 WO disclosed
EP-2990112-B1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
EP-2990113-B1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
EP-3150588-B1 APPARATUS AND METHOD FOR PRODUCING CYCLIC CARBONATE MARUZEN PETROCHEM CO LTD (JP) 2019-07-03 EP disclosed
US-10106520-B2 Apparatus and method for producing cyclic carbonate MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-10-23 US disclosed
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-24 US disclosed
EP-3023418-B1 METHOD FOR MANUFACTURING CYCLIC CARBONATE AIST (JP) 2018-07-11 EP disclosed
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-03 US disclosed
EP-3023419-B1 METHOD FOR CONTINUOUSLY PRODUCING CYCLIC CARBONATE MARUZEN PETROCHEM CO LTD (JP) 2018-01-31 EP disclosed
US-9856229-B2 Method for producing cyclic carbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-01-02 US disclosed
EP-3023419-A1 METHOD FOR CONTINUOUSLY PRODUCING CYCLIC CARBONATE Maruzen Petrochemical Co., Ltd. (JP) 2016-05-25 EP disclosed
EP-3018163-A1 Novel polyurethanes free from isocyanate groups BASF SE (DE) 2016-05-11 EP disclosed
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEMICAL CO., LTD. (JP) 2016-04-21 US disclosed
US-20160067695-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEMICAL CO., LTD. (JP) 2016-03-10 US disclosed
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-03-03 US disclosed
EP-2990114-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS National Institute of Advanced Industrial Science and Technology (JP) 2016-03-02 EP disclosed
EP-2990113-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS Maruzen Petrochemical Co., Ltd. (JP) 2016-03-02 EP disclosed
EP-2990112-A1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE Maruzen Petrochemical Co., Ltd. (JP) 2016-03-02 EP disclosed
WO-2015160773-A1 ELECTROLYTE FORMULATIONS WILDCAT DISCOVERY TECHNOLOGIES INC. (US) 2015-10-22 WO disclosed
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US 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 (6 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-20160067695-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CYCS, CA7, CA9 LMNA 3426/4885CA1 15/4885CA2 10/4885
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis CYCS, CA7, CA9 LMNA 3426/4885CA1 15/4885CA2 10/4885
US-20160108071-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS EPHX2, CA4, CA9 LMNA 1304/4885CA1 79/4885CA2 11/4885
US-10106520-B2 Apparatus and method for producing cyclic carbonate SCO2, CA2, AGL LMNA 3569/4885CA1 4/4885CA2 2/4885
US-20160060242-A1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS CA2, PLCB3, PHOSPHO1 LMNA 1548/4885CA1 28/4885CA2 1/4885
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts SIK2, SIK3, SIK1 LMNA 1871/4885CA1 148/4885CA2 87/4885

“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.