SCHEMBL22157352

SCHEMBL22157352

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1-c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.40
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ DNMT1 P26358 3/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ TACR1 P25103 3/20 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
SCHEMBL22157676 0.94 KIF11 (0.45) KIF11PPARGPPARAKCNH2HSP90AA1
SCHEMBL22157325 0.94 KCNH2 (0.38) KIF11PPARGPGRKCNH2NR1H3
SCHEMBL22157671 0.88 KIF11 (0.37) KIF11HSP90AA1HRH1HTR6TACR1
SCHEMBL22157324 0.88 KIF11 (0.39) KIF11KCNH2
SCHEMBL22156737 0.87 KIF11 (0.35) KIF11PPARGPPARAPGRHSP90AA1
SCHEMBL22156735 0.87 KIF11 (0.35) KIF11PPARGPPARAPGRHSP90AA1
SCHEMBL22157448 0.86 TACR1 (0.36) KIF11PGRTACR1
SCHEMBL22156727 0.85 KIF11 (0.42) KIF11PPARGPPARAPGRKCNH2
SCHEMBL22156844 0.85 KIF11 (0.39) KIF11PPARGPPARAPGRKCNH2
SCHEMBL22155887 0.85 RORC (0.35) KIF11PGRKCNH2NR1H3RORA

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 4485/4885PPARG 4403/4885PPARA 4759/4885

“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.

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