SCHEMBL7072259

SCHEMBL7072259

CCOC(=O)C(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.56
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
PPARD Q03181 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
CTNNB1 P35222 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL7068758 0.92 PPARA (0.60) ADAM17PPARAPPARGPPARDLMNA
SCHEMBL7072263 0.85 TP53 (0.47) ADAM17PPARAPPARGPPARDLMNA
SCHEMBL7069916 0.80 LPAR3 (0.50) ADAM17PPARAPPARGPPARDPDE10A
SCHEMBL6555798 0.80 KDM4E (0.59) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5338861 0.79 PPARA (0.75) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL4758109 0.79 PPARA (0.75) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL15811673 0.79 PPARA (0.75) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL7069563 0.78 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL8235552 0.78 FFAR1 (0.63) ADAM17ACACA
SCHEMBL7066775 0.78 PPARA (0.53) PPARAPPARGPPARDLMNAL3MBTL1

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 ADAM17 4540/4885PPARA 3/4885PPARG 1/4885

“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.