SCHEMBL22822253

SCHEMBL22822253

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 3/20 0.34
STS P08842 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDPK1 O15530 1/20 0.33
AR P10275 4/20 0.32
KIF11 P52732 2/20 0.32
ENPP1 P22413 1/20 0.32
PGR P06401 1/20 0.31
PDK2 Q15119 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL19918005 0.97 STS (0.34) RXRARXRGXDHSTSALOX5AP
SCHEMBL20617406 0.95 RXRA (0.34) RXRARXRGXDHSTSALOX5AP
SCHEMBL20617113 0.95 RXRA (0.38) RXRARXRGXDHSTSALOX5AP
SCHEMBL22822652 0.94 RXRA (0.35) RXRARXRGXDHSTSALOX5AP
SCHEMBL22822683 0.93 GABRA1 (0.36) RXRARXRGXDHALOX5APFEN1
SCHEMBL20617107 0.93 RXRA (0.31) RXRARXRGXDHSTSALOX5AP
SCHEMBL22564426 0.93 RXRA (0.35) RXRARXRGXDHPDPK1AR
SCHEMBL19903601 0.92 XDH (0.34) RXRARXRGXDHSTSALOX5AP
SCHEMBL22822162 0.92 KIF11 (0.39) RXRARXRGXDHPDPK1KIF11
SCHEMBL19903477 0.91 XDH (0.31) XDHSTSALOX5APFEN1

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-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

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 3138/4885XDH 430/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885XDH 125/4885

“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.