SCHEMBL4544983

SCHEMBL4544983

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CES2 O00748 3/20 0.45
NAAA Q02083 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.40
FAAH O00519 7/20 0.39
CES1 P23141 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4544980 1.00 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544971 1.00 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544977 1.00 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544972 1.00 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544974 0.87 HCAR2 (0.34) CES2HCAR2CES1ALDH1A1
SCHEMBL4544960 0.83 TSHR (0.54) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544970 0.83 TSHR (0.54) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544985 0.83 TSHR (0.50) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL4544995 0.82 S1PR1 (0.48) TSHR
SCHEMBL4544956 0.81 TSHR (0.51) TSHRCES2NAAAHCAR2RAD52

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 TSHR 254/4885CES2 2310/4885NAAA 3081/4885

“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.