SCHEMBL21399693

SCHEMBL21399693

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.44
BCAT1 P54687 1/20 0.34
KIF11 P52732 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
PGR P06401 2/20 0.32
GABRA1 P14867 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
ERBB2 P04626 1/20 0.31
PTPN5 P54829 1/20 0.31
MC2R Q01718 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL22985622 0.95 AR (0.41) ARBCAT1KIF11TSHRSMN1; SMN2
SCHEMBL20849165 0.93 AR (0.45) ARBCAT1KIF11TSHRSMN1; SMN2
SCHEMBL21399303 0.93 PTPN5 (0.38) ARKIF11TSHRSMN1; SMN2PGR
SCHEMBL20848986 0.92 AR (0.42) ARBCAT1BACE1PGR
SCHEMBL21399450 0.92 AR (0.36) ARBCAT1KIF11TSHRSMN1; SMN2
SCHEMBL22985625 0.92 AR (0.43) ARBCAT1TSHRSMN1; SMN2BACE1
SCHEMBL21399570 0.91 KIF11 (0.34) ARBCAT1KIF11TSHRSMN1; SMN2
SCHEMBL20849154 0.90 AR (0.47) ARBCAT1TSHRSMN1; SMN2BACE1
SCHEMBL21399694 0.90 AR (0.38) ARBCAT1KIF11TSHRSMN1; SMN2
SCHEMBL21399444 0.90 AR (0.45) ARBCAT1KIF11TSHRSMN1; SMN2

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 AR 1991/4885BCAT1 3571/4885KIF11 4281/4885

“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.