SCHEMBL21258882

SCHEMBL21258882

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6ccc(C)cc6C)cc54)c3c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.41
KIF11 P52732 1/20 0.35
XDH P47989 2/20 0.33
TRPA1 O75762 1/20 0.33
PGR P06401 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SCN9A Q15858 2/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.31
BCAT1 P54687 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
SCHEMBL21258884 0.95 AR (0.39) ARXDHTRPA1PGRALOX5AP
SCHEMBL21258885 0.95 AR (0.41) ARKIF11XDHTRPA1PGR
SCHEMBL21258736 0.95 AR (0.41) ARKIF11XDHPGRALOX5AP
SCHEMBL20111832 0.93 AR (0.49) ARKIF11XDHTRPA1PGR
SCHEMBL21258863 0.92 AR (0.43) ARKIF11XDHTRPA1PGR
SCHEMBL20111614 0.91 AR (0.41) ARKIF11XDHTRPA1PGR
SCHEMBL21258759 0.90 AR (0.47) ARKIF11XDHTRPA1PGR
SCHEMBL21258852 0.90 AR (0.39) ARXDHPGRALOX5APFEN1
SCHEMBL20111821 0.90 AR (0.52) ARKIF11XDHTRPA1PGR
SCHEMBL21258853 0.89 AR (0.38) ARKIF11XDHTRPA1PGR

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-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 AR 4611/4885KIF11 3426/4885XDH 291/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885KIF11 3661/4885XDH 92/4885

“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.