SCHEMBL12879929

SCHEMBL12879929

N#Cc1cc(F)cc(C(=O)c2cc(C(=O)c3cc(F)cc(C#N)c3)cc(C3(c4cc(C(=O)c5cc(F)cc(C#N)c5)cc(C(=O)c5cc(F)cc(C#N)c5)c4)c4ccccc4-c4ccccc43)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.45
▸ PDK2 Q15119 1/20 0.39

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
SCHEMBL12864225 0.90 VNN1 (0.39) VNN1
SCHEMBL12864223 0.87 CNR1 (0.41) VNN1PDK2
SCHEMBL2605937 0.81 CHRM5 (0.37) VNN1PDK2
SCHEMBL12864224 0.80 CES2 (0.45) PDK2
SCHEMBL2605975 0.80 PDK2 (0.46) PDK2
SCHEMBL12879500 0.78 PGR (0.42) PDK2
SCHEMBL1167840 0.76 TDP1 (0.52) PDK2
SCHEMBL12864226 0.76 ALDH1A1 (0.44) VNN1PDK2
SCHEMBL1168040 0.74 MEN1 (0.50) PDK2
SCHEMBL12879924 0.74 PDK2 (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — WO 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 VNN1 3279/4885PDK2 2382/4885

“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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