SCHEMBL19912468

SCHEMBL19912468

Cc1cc(-c2c(-n3c4cc(C)ccc4c4ccc(C)cc43)cc(C#N)cc2-n2c3cc(C)ccc3c3ccc(C)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
AR P10275 2/20 0.33
KIF11 P52732 2/20 0.33
XDH P47989 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL22564466 0.95 RXRA (0.39) RXRARXRGARKIF11XDH
SCHEMBL19903637 0.95 RXRA (0.37) RXRARXRGARKIF11XDH
SCHEMBL19912460 0.95 KIF11 (0.36) RXRARXRGARKIF11GRM5
SCHEMBL19903534 0.93 RXRA (0.36) RXRARXRGARKIF11XDH
SCHEMBL19912508 0.92 RXRA (0.40) RXRARXRGARKIF11XDH
SCHEMBL19912473 0.92 KIF11 (0.41) RXRARXRGKIF11GRM5MAT2A
SCHEMBL19912501 0.91 RXRA (0.39) RXRARXRGARKIF11XDH
SCHEMBL19912385 0.91 RXRA (0.36) RXRARXRGARKIF11XDH
SCHEMBL22822634 0.90 KIF11 (0.37) RXRARXRGARKIF11XDH
SCHEMBL19912465 0.90 RXRA (0.34) RXRARXRGKIF11XDHGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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 (1 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885AR 4212/4885

“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.