SCHEMBL25660876

SCHEMBL25660876

N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KIF11 P52732 1/20 0.35
XDH P47989 2/20 0.33
ICMT O60725 4/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 1/20 0.32
TRPA1 O75762 1/20 0.31
SCN9A Q15858 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR2 O15552 1/20 0.30
CETP P11597 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
SCHEMBL26777355 0.96 ALOX5AP (0.37) ALOX5APFEN1KIF11XDHICMT
SCHEMBL26777350 0.92 ALOX5AP (0.39) ALOX5APFEN1KIF11XDHICMT
SCHEMBL25659704 0.91 KIF11 (0.37) ALOX5APFEN1KIF11XDHCYP11B1
SCHEMBL25660930 0.91 KIF11 (0.41) ALOX5APFEN1KIF11XDHAR
SCHEMBL25660834 0.89 ALOX5AP (0.39) ALOX5APFEN1KIF11XDHAR
SCHEMBL25660933 0.89 PTPN5 (0.40) ALOX5APFEN1KIF11XDHTRPA1
SCHEMBL25660901 0.89 AR (0.40) ALOX5APFEN1KIF11XDHAR
SCHEMBL25659642 0.89 ALOX5AP (0.37) ALOX5APFEN1KIF11XDHAR
SCHEMBL19903505 0.88 KIF11 (0.39) ALOX5APFEN1KIF11XDHAR
SCHEMBL25660477 0.88 ALOX5AP (0.38) ALOX5APFEN1KIF11XDHICMT

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-11825743-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP 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-11825743-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 ALOX5AP 3126/4885FEN1 1566/4885KIF11 3288/4885

“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.