SCHEMBL22157674

SCHEMBL22157674

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.36
▸ HTR6 P50406 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ PTGDR2 Q9Y5Y4 5/20 0.33
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB1 P18505 2/20 0.31
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRA3 P34903 2/20 0.31
▸ GABRA2 P47869 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ GABRA4 P48169 2/20 0.31
▸ GABRE P78334 2/20 0.31
▸ GABRA6 Q16445 2/20 0.31
▸ GABRG1 Q8N1C3 2/20 0.31
▸ GABRG3 Q99928 2/20 0.31
▸ GABRQ Q9UN88 2/20 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
SCHEMBL22157671 0.94 KIF11 (0.37) KIF11HTR6HRH1PTGDR2GABRP
SCHEMBL22157677 0.89 KIF11 (0.34) KIF11PTGDR2GABRPGABRDGABRA1
SCHEMBL22157325 0.86 KCNH2 (0.38) KIF11MEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL22157675 0.86 KIF11 (0.40) KIF11TACR1HSP90AA1MAPT
SCHEMBL23299844 0.82 KIF11 (0.33) KIF11HTR6HRH1
SCHEMBL22157447 0.82 KIF11 (0.39) KIF11TACR1
SCHEMBL22157352 0.81 KIF11 (0.40) KIF11HTR6HRH1TACR1HSP90AA1
SCHEMBL22158535 0.81 KIF11 (0.36) KIF11HTR6HRH1PTGDR2GABRP
SCHEMBL22155891 0.80 ALDH1A1 (0.35) —
SCHEMBL22157324 0.80 KIF11 (0.39) KIF11MAT2A

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 4485/4885HTR6 3202/4885HRH1 1950/4885

“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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