SCHEMBL21399249

SCHEMBL21399249

N#Cc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cc(C(F)(F)F)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.36
PPARA Q07869 2/20 0.36
KIF11 P52732 1/20 0.35
AR P10275 4/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
CYP3A4 P08684 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL21399248 1.00 PPARG (0.36) PPARGPPARAKIF11ARTSHR
SCHEMBL21399698 0.94 KIF11 (0.38) PPARGPPARAKIF11ARTSHR
SCHEMBL21399732 0.93 KIF11 (0.40) PPARGPPARAKIF11ARTSHR
SCHEMBL22985388 0.92 ALOX5AP (0.37) PPARGPPARAKIF11AR
SCHEMBL22985389 0.92 ALOX5AP (0.37) PPARGPPARAKIF11AR
SCHEMBL20849163 0.90 AR (0.35) PPARGPPARAARSCN9A
SCHEMBL21399497 0.90 PPARG (0.38) PPARGPPARAKIF11ARTSHR
SCHEMBL21399697 0.90 KIF11 (0.35) PPARGPPARAKIF11ARTSHR
SCHEMBL20848889 0.89 AR (0.31) PPARGPPARAAR
SCHEMBL21399695 0.89 TSHR (0.37) ARTSHRSMN1; SMN2HRH1HTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 PPARG 3981/4885PPARA 4236/4885KIF11 4281/4885

“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.