SCHEMBL10050396

SCHEMBL10050396

[C-]#[N+]C(C#N)=C1c2cc(-c3ccccc3F)ccc2-c2ccc(-c3ccccc3F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48
PDK2 Q15119 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FEN1 P39748 7/20 0.35
ALOX5AP P20292 5/20 0.35
BACE1 P56817 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAP4K4 O95819 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ATM Q13315 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
SCHEMBL10050392 0.86 TTR (0.40) PTPRCPTPN1ACMSDFEN1ALOX5AP
SCHEMBL10050393 0.83 XDH (0.31)
SCHEMBL10050384 0.83 AR (0.50) FEN1ALOX5APBACE1TRPA1ALDH1A1
SCHEMBL10050394 0.82 ESR1 (0.32)
SCHEMBL12114501 0.81 DAPK3 (0.33) PTPRCPTPN1
SCHEMBL10050398 0.81 CYP11B1 (0.33) PDK2CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL10075614 0.81 PTPRC (0.54) PTPRCPTPN1PDK2ACMSDCYP11B1
SCHEMBL10050395 0.81 ESR2 (0.41) PTPN1PDK2CYP11B1CYP11B2
SCHEMBL12114513 0.81 XDH (0.30)
SCHEMBL12114374 0.80 MEN1 (0.42) PDK2ACMSDALDH1A1MEN1HTT

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 PTPRC 2746/4885PTPN1 2700/4885PDK2 2339/4885

“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.