SCHEMBL7069751

SCHEMBL7069751

CC(C)(C)OC(Cc1ccccc1OCc1cnc2ccccc2c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PDE10A Q9Y233 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
NOTUM Q6P988 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CGAS Q8N884 1/20 0.38

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
SCHEMBL7068772 0.89 PDE10A (0.42) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7069282 0.88 PPARG (0.45) SCN9APDE10AHTTSMN1; SMN2STAT3
SCHEMBL7069271 0.86 PPARA (0.49)
SCHEMBL7069697 0.86 PPARG (0.41) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7130373 0.86 FFAR4 (0.40) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7604848 0.86 MGAM (0.43) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7069748 0.85 PPARA (0.49) SCN9ATPH1ALOX5AP
SCHEMBL7066080 0.84 SMN1; SMN2 (0.41) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7067687 0.84 MGAM (0.41) SCN9APTGER1PTGER4PTGER3PTGER2
SCHEMBL7065979 0.83 MME (0.42) SCN9APTGER1PTGER4PTGER3PTGER2

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA SCN9A 4160/4885PTGER1 529/4885PTGER4 1015/4885

“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.