SCHEMBL4544974

SCHEMBL4544974

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 6/20 0.33
ACHE P22303 6/20 0.33
CES1 P23141 5/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL4544983 0.87 TSHR (0.46) HCAR2CES2CES1ALDH1A1
SCHEMBL4544980 0.87 TSHR (0.46) HCAR2CES2CES1ALDH1A1
SCHEMBL4544971 0.87 TSHR (0.46) HCAR2CES2CES1ALDH1A1
SCHEMBL4544977 0.87 TSHR (0.46) HCAR2CES2CES1ALDH1A1
SCHEMBL4544972 0.87 TSHR (0.46) HCAR2CES2CES1ALDH1A1
SCHEMBL4544973 0.85 GAA (0.36) HCAR2GAASMN1; SMN2LMNAALDH1A1
SCHEMBL4544961 0.78 GAA (0.40) HCAR2GAASMN1; SMN2CES2ACHE
SCHEMBL4544981 0.76 ALDH1A1 (0.43) HCAR2SMN1; SMN2LMNAALDH1A1
SCHEMBL4544984 0.75 HCAR2 (0.43) HCAR2SMN1; SMN2CES1LMNAALDH1A1
SCHEMBL303392 0.68 TSHR (0.41) HCAR2GAASMN1; SMN2CES2CES1

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 5 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-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-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 (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-20090233207-A1 PYRAZOLOTRIAZOLE COMPOUND AND ELECTROPHOTOGRAPHIC TONER HAX1, XDH, GLRX3 HCAR2 484/4885GAA 2672/4885SMN1; SMN2 4575/4885

“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.