SCHEMBL7066090

SCHEMBL7066090

CCOC(=O)C(Cc1ccccc1OCc1ccc2ncccc2c1)OCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
NOTUM Q6P988 1/20 0.41
ALOX5 P09917 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC3 O15379 2/20 0.38
ACACB O00763 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DAO P14920 1/20 0.37
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37
PDE10A Q9Y233 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7070375 0.91 PPARA (0.46) PPARGNOTUMLMNASMN1; SMN2ALDH1A1
SCHEMBL7066781 0.88 CYP1A2 (0.42) NOTUMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7066088 0.85 PPARA (0.53) PPARGALOX5LMNAALDH1A1ACACB
SCHEMBL7069940 0.83 PPARA (0.46) PPARGPPARDPPARA
SCHEMBL7069545 0.82 KDM4E (0.45) LMNASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL7069421 0.81 SIRT2 (0.43) NOTUMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27541825 0.81 PPARA (0.50) PPARGLMNASMN1; SMN2HTTMAPT
SCHEMBL7069687 0.80 PDE10A (0.39) PDE10A
SCHEMBL7070263 0.79 SCN9A (0.38) PPARGNOTUMSMN1; SMN2HTTPDE10A
SCHEMBL7069282 0.79 PPARG (0.45) PPARGSMN1; SMN2HTTPDE10ASTAT3

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 PPARG 1/4885NOTUM 2824/4885ALOX5 2653/4885

“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.