SCHEMBL22156762

SCHEMBL22156762

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.37
▸ MAT2A P31153 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ PPARG P37231 8/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL22158534 0.95 KIF11 (0.41) KIF11MAT2AKCNH2HTR1DPPARG
SCHEMBL22158536 0.91 KIF11 (0.40) KIF11MAT2AKCNH2PPARGF7
SCHEMBL22158531 0.89 KIF11 (0.46) KIF11MAT2APPARGF7F3
SCHEMBL22158535 0.86 KIF11 (0.36) KIF11MAT2AF7F3MAPT
SCHEMBL22157607 0.86 KIF11 (0.39) KIF11KCNH2HTR1DPPARGPPARA
SCHEMBL22156846 0.83 KIF11 (0.35) KIF11KCNH2HTR1DPGRRORA
SCHEMBL22156727 0.83 KIF11 (0.42) KIF11KCNH2PPARGPPARAHSP90AA1
SCHEMBL22157688 0.82 KIF11 (0.38) KIF11MAT2APPARGPPARAHSP90AA1
SCHEMBL22156019 0.82 KIF11 (0.35) KIF11MAT2AKCNH2HTR1DPPARG
SCHEMBL22157325 0.81 KCNH2 (0.38) KIF11KCNH2HTR1DPPARGHSP90AA1

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 4485/4885MAT2A 3952/4885KCNH2 997/4885

“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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