SCHEMBL19912486

SCHEMBL19912486

Cc1cc(-c2c(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)cc(C#N)cc2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
GPBAR1 Q8TDU6 3/20 0.37
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
ERBB2 P04626 1/20 0.31
PDK2 Q15119 1/20 0.31
MAT2A P31153 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
KIF11 P52732 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 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
SCHEMBL19912478 0.97 AR (0.40) ARGPBAR1RXRARXRGERBB2
SCHEMBL22822444 0.95 AR (0.45) ARGPBAR1RXRARXRGERBB2
SCHEMBL19903613 0.95 AR (0.45) ARGPBAR1RXRARXRGERBB2
SCHEMBL19912481 0.92 AR (0.42) ARGPBAR1RXRARXRGPDK2
SCHEMBL19903447 0.92 AR (0.42) ARGPBAR1RXRARXRGERBB2
SCHEMBL22564403 0.92 AR (0.42) ARGPBAR1RXRARXRGERBB2
SCHEMBL19912477 0.92 AR (0.40) ARGPBAR1RXRARXRGKIF11
SCHEMBL19912494 0.90 RXRA (0.33) ARRXRARXRGKIF11XDH
SCHEMBL19912490 0.90 AR (0.33) ARRXRARXRG
SCHEMBL19912475 0.89 RXRA (0.39) ARRXRARXRGMAT2AKIF11

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 AR 4212/4885GPBAR1 3858/4885RXRA 3635/4885

“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.