SCHEMBL2755474

SCHEMBL2755474

O=C(c1ccc(Oc2ccccc2)c(C(=O)O)c1)c1ccc(OCc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
MAOB P27338 3/20 0.50
MRGPRX4 Q96LA9 3/20 0.50
MAPK14 Q16539 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTC4S Q16873 2/20 0.45
SCN9A Q15858 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2755475 0.91 LTC4S (0.49) NR4A2MAOBMRGPRX4MAPK14P4HTM
SCHEMBL239586 0.87 P4HTM (0.49) MAOBMRGPRX4FFAR1FFAR4P4HTM
SCHEMBL239377 0.86 RXRA (0.54) NR4A2MAOBMRGPRX4P4HTMLTC4S
SCHEMBL2755476 0.84 MAOB (0.48) MAOBMRGPRX4FFAR1FFAR4P4HTM
SCHEMBL238898 0.83 SCN9A (0.49) LTC4SSCN9A
SCHEMBL236056 0.83 PTGDR2 (0.47) MAOBMRGPRX4P4HTMMAPTLTC4S
SCHEMBL238805 0.80 LTC4S (0.63) LTC4S
SCHEMBL2755473 0.80 RXRA (0.51) NR4A2MAOBMRGPRX4LTC4S
SCHEMBL241183 0.80 LTC4S (0.51) LTC4SSCN9A
SCHEMBL239379 0.78 LTC4S (0.73) LTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R NR4A2 1253/4885MAOB 96/4885MRGPRX4 764/4885

“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.