SCHEMBL22564574

SCHEMBL22564574

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
KIF11 P52732 3/20 0.36
RORC P51449 5/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
XDH P47989 1/20 0.32
TRPA1 O75762 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
AR P10275 2/20 0.32
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORB Q92753 1/20 0.31
MAT2A P31153 1/20 0.31
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL22564566 0.95 KIF11 (0.41) RXRARXRGKIF11RORCPPARG
SCHEMBL20617070 0.95 RXRA (0.40) RXRARXRGKIF11RORCXDH
SCHEMBL19903669 0.95 KIF11 (0.39) RXRARXRGKIF11RORCPPARG
SCHEMBL20829447 0.95 KIF11 (0.39) RXRARXRGKIF11RORCPPARG
SCHEMBL22822430 0.94 RXRA (0.41) RXRARXRGKIF11PPARGXDH
SCHEMBL21414112 0.92 RORC (0.36) KIF11RORCPGRRORARORB
SCHEMBL21414273 0.91 KIF11 (0.39) RXRARXRGKIF11RORCPPARG
SCHEMBL20617130 0.91 RXRA (0.43) RXRARXRGKIF11XDHTAS2R14
SCHEMBL19912393 0.91 KIF11 (0.36) RXRAKIF11RORCPPARGPPARA
SCHEMBL20617072 0.90 RXRA (0.40) RXRARXRGKIF11RORCXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 US disclosed
EP-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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 (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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 RXRA 3552/4885RXRG 3138/4885KIF11 2841/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885KIF11 4320/4885

“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.