SCHEMBL19795562

SCHEMBL19795562

Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.44
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ IDO2 Q6ZQW0 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ MAT2A P31153 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ PTGER1 P34995 1/20 0.32

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
SCHEMBL18374580 0.92 KIF11 (0.47) KIF11PPARGPPARAHSP90AA1MAPT
SCHEMBL26496751 0.92 KIF11 (0.50) KIF11PPARGPPARAHSP90AA1MAPT
SCHEMBL18361015 0.91 KIF11 (0.49) KIF11PPARGPPARAHSP90AA1TDO2
SCHEMBL19795556 0.86 KIF11 (0.47) KIF11HSP90AA1MAPTPIK3CAPIK3CB
SCHEMBL18374375 0.84 KIF11 (0.49) KIF11HSP90AA1MAPTPIK3CAPIK3CB
SCHEMBL18361132 0.84 KIF11 (0.54) KIF11PPARGPPARAHSP90AA1MAPT
SCHEMBL20910722 0.83 PPARG (0.35) KIF11PPARGPPARATDO2IDO2
SCHEMBL23255438 0.82 KIF11 (0.39) KIF11PPARGPPARAHSP90AA1KDM4E
SCHEMBL19795559 0.82 KIF11 (0.39) KIF11PPARGPPARAHSP90AA1KDM4E
SCHEMBL23255441 0.82 KIF11 (0.39) KIF11PPARGPPARAHSP90AA1KDM4E

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-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — 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-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, C1R KIF11 4250/4885PPARG 4624/4885PPARA 4655/4885

“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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