SCHEMBL7070034

SCHEMBL7070034

CCOC(=O)C(Cc1ccccc1OCc1cnc2cc(C(F)(F)F)ccc2c1OC(C)C)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.39
THRB P10828 1/20 0.38
POLB P06746 1/20 0.36
PDE6D O43924 1/20 0.36
PDE5A O76074 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAOB P27338 1/20 0.34
PLK1 P53350 1/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL7067425 0.93 PPARG (0.41) MRGPRX4THRBPOLBPPARGPPARA
SCHEMBL7070031 0.86 MAOB (0.43) THRBPOLBPDE6DPDE5APDE6A
SCHEMBL7072416 0.85 NUDT1 (0.36) FFAR4
SCHEMBL7072019 0.84 NR1H2 (0.40) MRGPRX4PPARGPPARAFFAR1FFAR4
SCHEMBL7068783 0.83 ALDH1A1 (0.38) THRBFFAR4
SCHEMBL7066501 0.82 MAPT (0.43) THRB
SCHEMBL7072057 0.82 FFAR4 (0.38) THRBFFAR1FFAR4
SCHEMBL7072401 0.80 PPARA (0.39) MRGPRX4PPARGPPARA
SCHEMBL7069935 0.80 FFAR4 (0.36) FFAR1FFAR4
SCHEMBL7072687 0.79 PPARA (0.39) THRBPPARGPPARA

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA MRGPRX4 2396/4885THRB 956/4885POLB 446/4885

“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.