SCHEMBL20380903

SCHEMBL20380903

FC(F)(F)Oc1ccc(OI)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
EPHX2 P34913 1/20 0.47
GPR3 P46089 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KIF11 P52732 1/20 0.40
PDE2A O00408 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL254957 0.86 MAPT (0.56) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL80634 0.79 TRPV1 (0.58) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL28780452 0.78 EPHX2 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL19287491 0.77 CETP (0.44) GPR3KIF11PIM1PIM2
SCHEMBL13863723 0.76 MAPT (0.48) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL255560 0.76 GPR3 (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL15372299 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL97453 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL221511 0.74 MAPT (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL7007579 0.74 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023538-B2 Compounds, compositions and associated methods comprising 3-aryl quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2018-07-17 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-10023538-B2 Compounds, compositions and associated methods comprising 3-aryl quinolines CYP3A43, ABL1, CYP3A7 MAPT 1216/4885EPHX2 1197/4885GPR3 1164/4885

“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.