SCHEMBL12864225

SCHEMBL12864225

[C-]#[N+]c1cc(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 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 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
SCHEMBL12879929 0.90 VNN1 (0.45) VNN1
SCHEMBL12864209 0.80 PGR (0.37) —
SCHEMBL12864223 0.78 CNR1 (0.41) VNN1
SCHEMBL12864180 0.77 PDK2 (0.34) —
SCHEMBL2605937 0.73 CHRM5 (0.37) VNN1
SCHEMBL12864224 0.72 CES2 (0.45) —
SCHEMBL2605975 0.72 PDK2 (0.46) —
SCHEMBL12864211 0.71 KDM4E (0.36) —
SCHEMBL12551392 0.70 GRM5 (0.38) VNN1
SCHEMBL12551766 0.70 PTGS1 (0.38) VNN1

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-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

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 3279/4885

“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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