SCHEMBL876325

SCHEMBL876325

CO/C=C/c1ccc(Oc2cccc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
TUBB1 Q9H4B7 6/20 0.38
PTGS1 P23219 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RAF1 P04049 2/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
BRAF P15056 1/20 0.32
MAPK3 P27361 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNNI3K Q59H18 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
RXRA P19793 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL876326 1.00 ALOX5AP (0.41) ALOX5APFEN1TUBB1PTGS1NFE2L2
SCHEMBL9108765 0.83 ALOX5AP (0.43) ALOX5APFEN1RAF1SCN7AKCNH2
SCHEMBL875110 0.83 ALOX5AP (0.43) ALOX5APFEN1RAF1SCN7AKCNH2
SCHEMBL875359 0.73 ALOX5AP (0.40) ALOX5APFEN1RAF1SCN7AKCNH2
SCHEMBL876079 0.73 ALOX5AP (0.41) ALOX5APFEN1BACE1RXRA
SCHEMBL7479066 0.71 TUBB1 (0.69) TUBB1PTGS1NFE2L2
SCHEMBL7479058 0.71 TUBB1 (0.69) TUBB1PTGS1NFE2L2
SCHEMBL875387 0.71 ALOX5AP (0.40) ALOX5APFEN1RXRA
SCHEMBL877440 0.68 HSPB1 (0.51) TUBB1MAPK14KDM4EALDH1A1
SCHEMBL883764 0.68 HSPB1 (0.51) TUBB1MAPK14KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (2 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALOX5AP 28/4885FEN1 845/4885TUBB1 3771/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALOX5AP 28/4885FEN1 845/4885TUBB1 3771/4885

“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.