SCHEMBL13239889

SCHEMBL13239889

CC(C)Oc1ccc(-n2nc(CCl)nc2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.46
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
NPY5R Q15761 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
SCHEMBL13239882 0.87 PTGS2 (0.45) MALT1PTGS2PTGS1CYP3A4CYP3A5
SCHEMBL13239894 0.87 PPARD (0.41) NPY5R
SCHEMBL27696184 0.82 MALT1 (0.41) MALT1KMT2APOLBPTGS2PTGS1
SCHEMBL13239891 0.82 BCL2 (0.42) KMT2APTGS2PTGS1ADORA2ACYP3A4
SCHEMBL2949564 0.81 PTGS1 (0.42) POLBPTGS2PTGS1NPY5R
SCHEMBL13239892 0.80 HTR7 (0.43) PTGS2PTGS1
SCHEMBL13239899 0.76 KMT2A (0.48) KMT2APOLBPTGS2PTGS1CYP3A4
SCHEMBL13239888 0.76 NPC1 (0.40) PTGS2PTGS1
SCHEMBL13239893 0.74 MAPT (0.41) PTGS2PTGS1ADORA2A
SCHEMBL27696188 0.71 PPARD (0.47) MALT1PTGS2PTGS1

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-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US 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-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARD, PPARA MALT1 4260/4885KMT2A 3644/4885POLB 807/4885

“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.