SCHEMBL22158457

SCHEMBL22158457

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4ccc(F)c(F)c4)cc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3C#N)c2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TRPA1 O75762 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GRM2 Q14416 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
SCHEMBL22158455 0.94 KIF11 (0.34) KIF11ESR1ESR2
SCHEMBL22156533 0.92 KIF11 (0.34) KIF11ESR1ESR2GRIA2GRIA4
SCHEMBL22156855 0.90 RAPGEF3 (0.34) KIF11
SCHEMBL22158456 0.89 RORC (0.32) KIF11IDO1
SCHEMBL22157089 0.88 KIF11 (0.38) KIF11GRIA2GRIA4KDM4EALDH1A1
SCHEMBL22156854 0.85 KIF11 (0.35) KIF11
SCHEMBL23348543 0.85 KCNH2 (0.36) KIF11GRIA2GRIA4KDM4EALDH1A1
SCHEMBL22156987 0.85 ICMT (0.36) KIF11GRIA2GRIA4IDO1KDM4E
SCHEMBL22157710 0.84 KIF11 (0.38) KIF11TRPA1
SCHEMBL22156537 0.84 ALOX5AP (0.30)

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 4485/4885ESR1 1322/4885ESR2 1012/4885

“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.