SCHEMBL7066781

SCHEMBL7066781

CCOC(=O)C(Cc1ccccc1OCc1cnc2ccccc2c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
PDE10A Q9Y233 7/20 0.40
MAOB P27338 3/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
STAT3 P40763 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CGAS Q8N884 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7069421 0.93 SIRT2 (0.43) PDE10ANOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL7069687 0.91 PDE10A (0.39) PDE10AMAOBSCN9ASIRT2
SCHEMBL7069282 0.91 PPARG (0.45) PDE10ASMN1; SMN2SCN9ASTAT3HTT
SCHEMBL7070263 0.90 SCN9A (0.38) PDE10AMAOBNOTUMSMN1; SMN2SCN9A
SCHEMBL7066564 0.90 MMP1 (0.40) PDE10ANOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL7066090 0.88 PPARG (0.43) PDE10ANOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL7069482 0.87 MAOB (0.37) PDE10AMAOBNOTUMSCN9ASIRT2
SCHEMBL7066775 0.84 PPARA (0.53) CYP1A2CYP2C9HIF1AMAOBLMNA
SCHEMBL7069697 0.83 PPARG (0.41) PDE10ANOTUMSMN1; SMN2SCN9ASTAT3
SCHEMBL27541825 0.82 PPARA (0.50) CYP2C9SMN1; SMN2HTTLMNAMAPT

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 CYP1A2 554/4885CYP2C9 2920/4885HIF1A 673/4885

“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.