SCHEMBL4544956

SCHEMBL4544956

CCCCCCCCOC(=O)C(C(=O)OCCCCCCCC)=C(O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CES2 O00748 4/20 0.50
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
FAAH O00519 7/20 0.43
CES1 P23141 5/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4544961 0.85 GAA (0.40) TSHRCES2HCAR2FAAHCES1
SCHEMBL4544964 0.85 TSHR (0.50) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544982 0.83 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL4544977 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544980 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544971 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544983 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544972 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL13237825 0.81 TSHR (0.46) TSHRCES2NAAAHCAR2RAD52
SCHEMBL28183640 0.80 TSHR (0.56) 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-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 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.