SCHEMBL4544963

SCHEMBL4544963

CCCCCCOC(=O)/C(C)=C(\O)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
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
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.42
FAAH O00519 3/20 0.41
LMNA P02545 1/20 0.40
ACHE P22303 3/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL4544969 0.93 ALDH1A1 (0.50) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL26663553 0.85 TSHR (0.63) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2974063 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29220168 0.83 TSHR (0.70) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL1585501 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2975231 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL10426081 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2978963 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL10009307 0.83 TSHR (0.70) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL10425108 0.83 TSHR (0.64) TSHRNAAAHCAR2RAD52NPSR1

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 254/4885NAAA 3081/4885HCAR2 484/4885

“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.