SCHEMBL22156404

SCHEMBL22156404

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cc(F)cc(F)c4)c(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)cc3C#N)c2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
AR P10275 2/20 0.32
SLC22A12 Q96S37 1/20 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
IMPDH2 P12268 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MAPK14 Q16539 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
SCHEMBL22156710 0.95 AR (0.36) KIF11ARSLC22A12GABRA1GABRG2
SCHEMBL22155960 0.94 KIF11 (0.34) KIF11ARSLC22A12GABRA1GABRG2
SCHEMBL19918036 0.88 KIF11 (0.41) KIF11ARSLC22A12IMPDH2
SCHEMBL23299814 0.88 AR (0.36) KIF11ARSLC22A12GABRA1GABRG2
SCHEMBL23299815 0.88 SCN9A (0.32) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL19909170 0.87 NPSR1 (0.32) KIF11SLC22A12IMPDH2MAPK14
SCHEMBL22822625 0.86 KIF11 (0.39) KIF11ARSLC22A12
SCHEMBL22156591 0.86 L3MBTL1 (0.34) SLC22A12GABRA1GABRG2GABRB3GABRA5
SCHEMBL19908936 0.85 MAPK14 (0.39) KIF11SLC22A12IMPDH2MAPK14
SCHEMBL22156540 0.85 KIF11 (0.34) KIF11ARSLC22A12GABRA1GABRG2

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 4485/4885AR 3782/4885SLC22A12 1896/4885

“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.