SCHEMBL4544984

SCHEMBL4544984

[CH2-][NH2+]/C(C(=O)OCCc1ccccc1)=C(/O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
AKR1B10 O60218 3/20 0.41
AKR1B1 P15121 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL4544996 0.85 SLC13A5 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL4544995 0.80 S1PR1 (0.48) TP53TSHR
SCHEMBL13987985 0.77 NPC1 (0.44) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL13988391 0.76 HCAR2 (0.42) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL16672682 0.76 HCAR2 (0.47) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL14694691 0.76 HCAR2 (0.61) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL4544974 0.75 HCAR2 (0.34) HCAR2ALDH1A1SMN1; SMN2CES1LMNA
SCHEMBL7053944 0.75 HCAR2 (0.53) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL16672628 0.74 HCAR2 (0.49) HCAR2ESR1ESR2TDP1AKR1B10
SCHEMBL14694692 0.72 HCAR2 (0.58) HCAR2ESR1ESR2TDP1AKR1B10

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 7 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-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291377-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

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 HCAR2 2623/4885ESR1 1776/4885ESR2 1752/4885
US-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER HAX1, XDH, GLRX3 HCAR2 484/4885ESR1 2842/4885ESR2 1572/4885

“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.