SCHEMBL4544973

SCHEMBL4544973

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL4544974 0.85 HCAR2 (0.34) GAASMN1; SMN2LMNAHCAR2ALDH1A1
SCHEMBL4544981 0.74 ALDH1A1 (0.43) SMN1; SMN2LMNAHCAR2ALDH1A1ESR1
SCHEMBL4544972 0.73 TSHR (0.46) HCAR2ALDH1A1TSHR
SCHEMBL4544977 0.73 TSHR (0.46) HCAR2ALDH1A1TSHR
SCHEMBL4544983 0.73 TSHR (0.46) HCAR2ALDH1A1TSHR
SCHEMBL4544971 0.73 TSHR (0.46) HCAR2ALDH1A1TSHR
SCHEMBL4544980 0.73 TSHR (0.46) HCAR2ALDH1A1TSHR
SCHEMBL4544970 0.67 TSHR (0.54) LMNAHCAR2ALDH1A1ESR1TSHR
SCHEMBL4544960 0.67 TSHR (0.54) LMNAHCAR2ALDH1A1ESR1TSHR
SCHEMBL4544985 0.67 TSHR (0.50) LMNAHCAR2ALDH1A1TSHR

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 GAA 2672/4885SMN1; SMN2 4575/4885LMNA 4159/4885

“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.