SCHEMBL7068772

SCHEMBL7068772

COC(Cc1ccccc1OCc1cnc2ccccc2c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.42
SCN9A Q15858 1/20 0.42
FFAR1 O14842 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7069751 0.89 SCN9A (0.45) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7069282 0.89 PPARG (0.45) PDE10ASCN9ASMN1; SMN2HTTSTAT3
SCHEMBL7069271 0.88 PPARA (0.49)
SCHEMBL7069697 0.88 PPARG (0.41) PDE10ASCN9ASIRT2SMN1; SMN2HTT
SCHEMBL7130373 0.88 FFAR4 (0.40) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7604848 0.88 MGAM (0.43) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7066080 0.86 SMN1; SMN2 (0.41) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7067687 0.85 MGAM (0.41) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7065979 0.84 MME (0.42) PDE10ASCN9ASIRT2FAAHSMN1; SMN2
SCHEMBL7067698 0.84 TRPV1 (0.43) PDE10ASCN9AKMT2AMEN1

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 PDE10A 2389/4885SCN9A 4160/4885FFAR1 439/4885

“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.