SCHEMBL7069841

SCHEMBL7069841

CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
PDE5A O76074 2/20 0.54
PDE6D O43924 1/20 0.54
PDE6A P16499 1/20 0.54
PDE6G P18545 1/20 0.54
PDE6B P35913 1/20 0.54
PDE6C P51160 1/20 0.54
PDE6H Q13956 1/20 0.54
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL14378112 0.86 THRB (0.62) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL430575 0.85 THRB (0.61) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL437005 0.84 THRB (0.60) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL429137 0.84 PDE5A (0.60) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL3059653 0.81 THRB (0.57) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL3054468 0.80 THRB (0.59) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL3074877 0.80 THRB (0.56) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL3062562 0.80 THRB (0.56) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL4428236 0.79 PDE5A (0.56) THRBPDE5APDE6DPDE6APDE6G
SCHEMBL3068163 0.79 THRB (0.55) THRBPDE5APDE6DPDE6APDE6G

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 THRB 956/4885PDE5A 2516/4885PDE6D 4056/4885

“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.