SCHEMBL4544976

SCHEMBL4544976

[CH2-][NH2+]/C(C(=O)OCCc1ccc(OCC(CC)CCCC)cc1)=C(/O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
PPARG P37231 3/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
CA2 P00918 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 2/20 0.36
PTGES O14684 2/20 0.35
S1PR1 P21453 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
CTSK P43235 1/20 0.35
PLA2G4A P47712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL4544988 0.85 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5PLA2G4A
SCHEMBL4544995 0.85 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5PLA2G4A
SCHEMBL13422127 0.84 ALDH1A1 (0.50) ALOX5PPARGALDH1A1CYP3A4CA2
SCHEMBL12168663 0.76 ALDH1A1 (0.39) ALOX5PPARGALDH1A1CYP3A4CA2
SCHEMBL15721294 0.76 ALDH1A1 (0.45) ALOX5PPARGALDH1A1CYP3A4CA2
SCHEMBL4544984 0.74 HCAR2 (0.43) ALDH1A1CYP3A4TDP1LMNAMAPK1
SCHEMBL4544996 0.74 SLC13A5 (0.41) LMNAL3MBTL1
SCHEMBL23167605 0.71 PLA2G4B (0.54) ALDH1A1CYP3A4CA2TDP1LMNA
SCHEMBL12581162 0.70 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TDP1LMNA
SCHEMBL2850156 0.69 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8178267-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-15 US disclosed
US-7943279-B2 Copper complex compound and electrophotographic toner containing the same KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2011-05-17 US disclosed
US-20090291377-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090233208-A1 COPPER COMPLEX COMPOUND AND ELECTROPHOTOGRAPHIC TONER CONTAINING THE SAME KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-09-17 US disclosed
US-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-09-17 US disclosed
US-20080113284-A1 ELECTROPHOTOGRAPHIC IMAGE FORMING METHOD AND YELLOW TONER USED IN THE METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-05-15 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 (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-20090233208-A1 COPPER COMPLEX COMPOUND AND ELECTROPHOTOGRAPHIC TONER CONTAINING THE SAME CBR1, C1R, SOD1 ALOX5 2849/4885PPARG 4305/4885ALDH1A1 863/4885
US-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER HAX1, XDH, GLRX3 ALOX5 2326/4885PPARG 1543/4885ALDH1A1 3741/4885

“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.