SCHEMBL4586393

SCHEMBL4586393

CCCCCCCCCCc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
FDPS P14324 1/20 0.37
FBP1 P09467 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
GPR35 Q9HC97 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL28198434 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL28198474 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL4584664 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL4584005 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL4584723 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL4585309 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL3309122 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL10577019 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL4584899 1.00 PLA2G4A (0.43) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1
SCHEMBL244221 0.98 PLA2G4A (0.41) PLA2G4AALDH1A1KCNH2TLR7L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
EP-1843410-B1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORP (US) 2013-10-16 EP disclosed
EP-1843410-A2 Functionalized heteroacenes and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 PLA2G4A 4340/4885ALDH1A1 2135/4885KCNH2 1459/4885

“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.