SCHEMBL4475330

SCHEMBL4475330

FC(F)(F)Oc1ccc(C(Cl)(Cl)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
EPHX2 P34913 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
KIF11 P52732 2/20 0.42
GPR3 P46089 1/20 0.41
CCR6 P51684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 2/20 0.39

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
SCHEMBL11683258 0.86 MAPT (0.44) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL23801989 0.82 EPHX2 (0.46) MAPTEPHX2TRPV1KIF11CCR6
SCHEMBL254957 0.82 MAPT (0.56) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL3484283 0.78 MAPT (0.45) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL14048135 0.77 KCNH2 (0.49) MAPTEPHX2TRPV1KIF11CCR6
SCHEMBL14703791 0.76 TRPV1 (0.49) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL101989 0.76 TRPV1 (0.62) MAPTEPHX2TRPV1KIF11CCR6
SCHEMBL255564 0.75 CCR6 (0.50) MAPTEPHX2TRPV1GPR3CCR6
SCHEMBL10989192 0.74 TRPV1 (0.54) TRPV1KIF11
SCHEMBL28780452 0.74 EPHX2 (0.50) MAPTEPHX2KIF11GPR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 MAPT 4230/4885EPHX2 400/4885TRPV1 20/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 MAPT 4527/4885EPHX2 547/4885TRPV1 25/4885

“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.