SCHEMBL4544981

SCHEMBL4544981

[CH2-][NH2+]/C(C(=O)OCCCC)=C(/O)C(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.37
TSHR P16473 6/20 0.37
HCAR2 Q8TDS4 3/20 0.37
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.33
ESR1 P03372 3/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H2 P55055 1/20 0.31
RNASEL Q05823 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
SCHEMBL4544977 0.80 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544983 0.80 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544971 0.80 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544980 0.80 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544972 0.80 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544974 0.76 HCAR2 (0.34) ALDH1A1HCAR2LMNASMN1; SMN2
SCHEMBL4544960 0.74 TSHR (0.54) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL4544970 0.74 TSHR (0.54) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL4544985 0.74 TSHR (0.50) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL4544978 0.74 TSHR (0.46) ALDH1A1TSHRHCAR2NAAARAD52

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-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-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 ALDH1A1 3741/4885ATM 4284/4885TSHR 254/4885

“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.