SCHEMBL420248

SCHEMBL420248

O=C(O)C#CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EPHX1 P07099 6/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
KCNH2 Q12809 1/20 0.31
TSHR P16473 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
SCHEMBL31069806 1.00 FFAR1 (0.39) FFAR1FFAR4CES2CES1EPHX1
SCHEMBL14894251 0.97 FFAR1 (0.37) FFAR1FFAR4CES2CES1
SCHEMBL16979043 0.92
SCHEMBL7934238 0.87
SCHEMBL18104919 0.79 FFAR1 (0.34) FFAR1FFAR4CES2CES1KCNH2
SCHEMBL4472159 0.78 CES2 (0.35) FFAR1FFAR4CES2CES1EPHX1
SCHEMBL31349911 0.76 HAO1 (0.33) HAO1
SCHEMBL31586625 0.76
SCHEMBL10616758 0.75 FFAR1 (0.33) FFAR1FFAR4CES2CES1KCNH2
Biphenyl SCHEMBL21409773 0.74 ALDH1A1 (0.44) CES2CES1EPHX1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120077502-A Electrolyte, electrochemical device, secondary battery, and lithium ion secondary battery 大金工业株式会社 2025-05-30 CN disclosed
CN-119497914-A Negative electrode, battery, and method for coating battery material 大金工业株式会社 2025-02-21 CN disclosed
CN-119487661-A Secondary battery 大金工业株式会社 2025-02-18 CN disclosed
CN-119422259-A Surface treatment agent for electrode material, positive electrode active material, current collecting foil, negative electrode active material, conductive auxiliary agent, electrode, battery, method for producing positive electrode active material, method for producing current collecting foil, method for producing negative electrode active material, method for producing conductive auxiliary agent, and method for producing electrode 大金工业株式会社 2025-02-11 CN disclosed
CN-119340488-A Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2025-01-21 CN disclosed
CN-119318048-A Electrolyte and secondary battery using the same 大金工业株式会社 2025-01-14 CN disclosed
CN-118786542-A Electrode active material, electrode, electrochemical device, assembly and method 国立大学法人京都大学 2024-10-15 CN disclosed
CN-116134060-B Method for producing aqueous dispersion of fluoroelastomer, and aqueous dispersion 大金工业株式会社 2024-06-18 CN disclosed
EP-4353759-A1 PRODUCTION METHOD FOR AQUEOUS FLUORINE-CONTAINING ELASTOMER DISPERSION, COMPOSITION, AND AQUEOUS DISPERSION Daikin Industries, Ltd. (JP) 2024-04-17 EP disclosed
CN-117529511-A Method for producing aqueous dispersion of fluoroelastomer, composition, and aqueous dispersion 大金工业株式会社 2024-02-06 CN disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 US disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO 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 (2 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-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 FFAR1 2480/4885FFAR4 3746/4885CES2 4504/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 FFAR1 305/4885FFAR4 728/4885CES2 1199/4885

“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.