SCHEMBL10075607

SCHEMBL10075607

N#CC(C#N)=C1c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
AR P10275 7/20 0.38
CES2 O00748 2/20 0.37
CYP2C9 P11712 1/20 0.36
SCN9A Q15858 1/20 0.36
PGR P06401 1/20 0.36
KIF11 P52732 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
POLQ O75417 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL16002367 0.87 ALOX5AP (0.40) EDNRBEDNRAALOX5APFEN1AR
SCHEMBL10074371 0.85 KIF11 (0.47) MAPTPKMALDH1A1GAAAR
SCHEMBL10075606 0.84 AR (0.56) ALOX5APFEN1MAPTPKMALDH1A1
SCHEMBL10050387 0.83 EDNRB (0.39) EDNRBEDNRAALOX5APFEN1AR
SCHEMBL13374656 0.82 KIF11 (0.45) MAPTPKMALDH1A1GAAAR
SCHEMBL12149405 0.82 KIF11 (0.45) MAPTPKMALDH1A1GAAAR
SCHEMBL15779897 0.82 MAPT (0.45) MAPTPKMALDH1A1GAAAR
SCHEMBL10075602 0.81 CTSS (0.43) MAPTPKMALDH1A1GAAAR
SCHEMBL10074370 0.81 MAPT (0.42) MAPTPKMALDH1A1GAAAR
SCHEMBL11588370 0.80 HPRT1 (0.39) MAPTPKMALDH1A1GAAAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 EDNRB 1159/4885EDNRA 787/4885ALOX5AP 4423/4885

“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.