SCHEMBL7069484

SCHEMBL7069484

CCOC(Cc1ccccc1OCc1cnc2cccc(C#N)c2c1OC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.35
S1PR1 P21453 6/20 0.35
CYP2D6 P10635 1/20 0.35
PPARA Q07869 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 4/20 0.34
MAOB P27338 1/20 0.34
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL7070039 0.87 PPARA (0.40) SGMS2PPARAPPARGPPARD
SCHEMBL7068859 0.87 PPARA (0.35) PPARAPPARGPPARD
SCHEMBL7069480 0.87 PPARA (0.50) PPARAPPARGPPARDMAOB
SCHEMBL7069293 0.84 HTR1A (0.35) PPARAPPARGPPARDMAOBALDH1A1
SCHEMBL7068137 0.84 FFAR4 (0.36) PPARAPPARGPPARD
SCHEMBL7069562 0.81 FFAR4 (0.40) PPARAPPARGPPARD
SCHEMBL7067931 0.80 NUDT1 (0.39) PPARAPPARGPPARD
SCHEMBL7072401 0.80 PPARA (0.39) PPARAPPARGPPARDALDH1A1
SCHEMBL7072687 0.79 PPARA (0.39) PPARAPPARGPPARDCYP2C9
SCHEMBL7070148 0.79 MAPT (0.38) PPARAPPARGPPARDALDH1A1CYP2C9

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 SGMS2 4072/4885S1PR1 4417/4885CYP2D6 1463/4885

“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.