SCHEMBL7069293

SCHEMBL7069293

CCOC(Cc1ccccc1OCc1cnc2cccc([N+](=O)[O-])c2c1OC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
PPARA Q07869 2/20 0.33
KDM4A O75164 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL7069289 0.87 PPARA (0.49) PPARAKDM4APPARGPPARD
SCHEMBL7068859 0.86 PPARA (0.35) PPARAPPARGPPARD
SCHEMBL7070039 0.86 PPARA (0.40) HTTPPARAPPARGPPARD
SCHEMBL7069484 0.84 SGMS2 (0.35) ALDH1A1PPARAPPARGPPARDMAOB
SCHEMBL7068137 0.83 FFAR4 (0.36) PPARAPPARGPPARD
SCHEMBL7069562 0.81 FFAR4 (0.40) PPARAPPARGPPARD
SCHEMBL7067931 0.80 NUDT1 (0.39) EGFRPPARAPPARGPPARD
SCHEMBL7072401 0.79 PPARA (0.39) ALDH1A1PPARAPPARGPPARDSMN1; SMN2
SCHEMBL7067925 0.79 PPARA (0.37) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL7072687 0.78 PPARA (0.39) PPARAPPARGPPARDSMN1; SMN2

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 HTR1A 1033/4885ADRA1D 582/4885ADRA1A 276/4885

“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.