SCHEMBL22564566

SCHEMBL22564566

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cc(C#N)cc(C(F)(F)F)c4)cc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3C#N)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
XDH P47989 1/20 0.32
RORC P51449 1/20 0.32
TRPA1 O75762 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
MAT2A P31153 2/20 0.31
TACR1 P25103 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
SCHEMBL22564574 0.95 RXRA (0.38) KIF11RXRARXRGPPARGPPARA
SCHEMBL19903690 0.95 KIF11 (0.43) KIF11RXRARXRGPPARGPPARA
SCHEMBL22822429 0.95 RXRA (0.40) KIF11RXRARXRGXDHTRPA1
SCHEMBL20617065 0.94 KIF11 (0.44) KIF11RXRARXRGXDHTAS2R14
SCHEMBL21414111 0.92 KIF11 (0.35) KIF11RORC
SCHEMBL19912520 0.91 KIF11 (0.40) KIF11PPARGPPARAMAT2A
SCHEMBL21414275 0.90 KIF11 (0.45) KIF11RXRARXRGPPARGPPARA
SCHEMBL20617130 0.90 RXRA (0.43) KIF11RXRARXRGXDHTAS2R14
SCHEMBL22822553 0.89 RXRA (0.40) KIF11RXRARXRGXDHTAS2R14
SCHEMBL20617070 0.89 RXRA (0.40) KIF11RXRARXRGXDHRORC

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 KIF11 2841/4885RXRA 3552/4885RXRG 3138/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 4320/4885RXRA 3876/4885RXRG 3543/4885

“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.