SCHEMBL22822129

SCHEMBL22822129

Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4-c4cc(C#N)cc(C(F)(F)F)c4)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
KIF11 P52732 2/20 0.34
SYK P43405 1/20 0.32
PGR P06401 1/20 0.32
GRM5 P41594 1/20 0.32
AR P10275 2/20 0.32
TACR1 P25103 3/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
XDH P47989 1/20 0.31
PTPN5 P54829 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 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
SCHEMBL19917940 0.98 RXRA (0.36) RXRARXRGKIF11SYKPGR
SCHEMBL19912503 0.98 RXRA (0.36) RXRARXRGKIF11SYKPGR
SCHEMBL19912499 0.97 RXRA (0.36) RXRARXRGKIF11SYKPGR
SCHEMBL22564346 0.95 RXRA (0.41) RXRARXRGKIF11SYKPGR
SCHEMBL19912492 0.94 AR (0.36) RXRARXRGKIF11ARTACR1
SCHEMBL22822127 0.94 RXRA (0.38) RXRARXRGKIF11SYKGRM5
SCHEMBL20617169 0.94 RXRA (0.39) RXRARXRGKIF11PGRAR
SCHEMBL19912472 0.93 RXRA (0.38) RXRARXRGKIF11ARTACR1
SCHEMBL22822599 0.93 AR (0.41) RXRARXRGKIF11SYKAR
SCHEMBL20617413 0.93 RXRA (0.41) RXRARXRGKIF11PGRTACR1

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 3138/4885KIF11 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.