SCHEMBL4244096

SCHEMBL4244096

FC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 2/20 0.55
KDR P35968 7/20 0.52
MAPK14 Q16539 6/20 0.52
TNNI3K Q59H18 6/20 0.52
BRAF P15056 5/20 0.49
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.48
MAPK1 P28482 1/20 0.48
TTBK1 Q5TCY1 1/20 0.47
LRRK2 Q5S007 1/20 0.47
TEAD1 P28347 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12825474 0.92 KDR (0.62) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL7780979 0.91 ALDH1A1 (0.52) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL7783065 0.89 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL16202045 0.89 KDR (0.62) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL8773803 0.88 ALDH1A1 (0.53) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL8683754 0.87 ALDH1A1 (0.47) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL5410817 0.86 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL8683809 0.86 KDR (0.48) L3MBTL1ALDH1A1POLBMAPTKDR
SCHEMBL29607042 0.86 MAPT (0.65) L3MBTL1ALDH1A1POLBMAPTGAA
SCHEMBL8773158 0.86 MAPT (0.65) L3MBTL1ALDH1A1POLBMAPTGAA

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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP disclosed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 L3MBTL1 3701/4885ALDH1A1 4625/4885POLB 2602/4885

“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.