SCHEMBL7069475

SCHEMBL7069475

COc1ccc2ncc(COc3ccccc3CC(Sc3ccccc3)C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX5 P09917 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
NMT1 P30419 1/20 0.35
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4B Q07343 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7070611 0.94 PPARG (0.38) PPARGPPARACYP1A2ALOX5CYP2C9
SCHEMBL7069452 0.94 MAPT (0.38) CYP1A2CYP2C9MAPTSMN1; SMN2THRB
SCHEMBL7598993 0.89 MAPT (0.39) CYP1A2CYP2C9MAPTSMN1; SMN2THRB
Hydrochloric Acid SCHEMBL7597575 0.88 MAPT (0.39) CYP1A2CYP2C9MAPTSMN1; SMN2THRB
SCHEMBL7066492 0.86 MAPT (0.38) CYP1A2CYP2C9MAPTSMN1; SMN2THRB
SCHEMBL7066511 0.85 PPARA (0.44) PPARGPPARACYP1A2CYP2C9MAPT
SCHEMBL7069540 0.85 MAPT (0.39) CYP1A2CYP2C9MAPTSMN1; SMN2THRB
SCHEMBL7066027 0.84 MAPT (0.41) MAPTSMN1; SMN2THRBEDNRAALDH1A1
SCHEMBL7067676 0.84 MAPT (0.40) PPARGPPARAMAPTSMN1; SMN2THRB
SCHEMBL7069471 0.83 MAPT (0.40) MAPTSMN1; SMN2THRBTP53EDNRA

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 1/4885PPARA 3/4885CYP1A2 554/4885

“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.