SCHEMBL3416133

SCHEMBL3416133

Cc1c(F)c(F)cc(F)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.39
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1634977 0.85 AGBL2 (0.39) AGBL2CA12CA9KDM4EMAPT
SCHEMBL29009868 0.82 CA1 (0.40) AGBL2CA1CA2CA4
SCHEMBL11269548 0.81 CA1 (0.43) AGBL2CA1CA2CA4
SCHEMBL15626646 0.78 MAPT (0.46) AGBL2KDM4EMAPTPOLBMEN1
SCHEMBL5062588 0.77 PTGS1 (0.40) AGBL2MAPTPOLBMEN1KMT2A
SCHEMBL3416138 0.77 AGBL2 (0.42) AGBL2KDM4EMAPTPOLBMEN1
SCHEMBL5062590 0.77 AGBL2 (0.42) AGBL2KDM4EMAPTPOLBMEN1
SCHEMBL1415209 0.77 AGBL2 (0.42) AGBL2KDM4EMAPTPOLBMEN1
SCHEMBL28397693 0.77 CA1 (0.45) CA1CA2CA4MAPT
SCHEMBL17997353 0.74

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
EP-1956054-B1 Phase change ink XEROX CORP (US) 2010-11-24 EP disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
EP-1956054-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 EP disclosed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US disclosed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 AGBL2 1525/4885CA1 102/4885CA2 32/4885

“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.