SCHEMBL20111862

SCHEMBL20111862

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
AR P10275 4/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RORC P51449 2/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PTGES O14684 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL20925149 0.96 KIF11 (0.38) KIF11ARRORCCYP2C9SCN9A
SCHEMBL20111864 0.95 KIF11 (0.42) KIF11ARPPARGPPARACYP2C9
SCHEMBL20111811 0.95 KIF11 (0.35) KIF11ARCYP2C9SCN9AALDH1A1
SCHEMBL20111819 0.93 KIF11 (0.40) KIF11ARCYP2C9SCN9AS1PR1
SCHEMBL25658555 0.92 RORC (0.34) KIF11ARRORCS1PR1S1PR3
SCHEMBL20111566 0.92 AR (0.38) KIF11ARRORCCYP2C9SCN9A
SCHEMBL20616908 0.92 AR (0.40) KIF11ARRORCMEN1KMT2A
SCHEMBL20111863 0.91 KIF11 (0.37) KIF11ARRORCCYP2C9SCN9A
SCHEMBL20111866 0.91 KIF11 (0.36) KIF11ARPPARGPPARACYP2C9
SCHEMBL21258770 0.91 KIF11 (0.36) KIF11ARPPARGPPARACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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 (2 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 KIF11 3426/4885AR 4611/4885PPARG 3605/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885AR 4386/4885PPARG 4083/4885

“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.