SCHEMBL12879500

SCHEMBL12879500

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.42
▸ AR P10275 2/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ PDK2 Q15119 3/20 0.40
▸ GRM5 P41594 2/20 0.40

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
SCHEMBL25789256 0.90 KDM4E (0.44) PGRPDK2GRM5
SCHEMBL12864209 0.89 PGR (0.37) PGRARNR3C1NR3C2PDK2
SCHEMBL2606030 0.85 MEN1 (0.44) PDK2
SCHEMBL12879499 0.83 ESR1 (0.43) PGRPDK2GRM5
SCHEMBL12879492 0.82 PDK2 (0.54) PGRARPDK2
SCHEMBL2606036 0.82 PDK2 (0.52) PGRPDK2
SCHEMBL1168040 0.80 MEN1 (0.50) PGRPDK2
SCHEMBL12879924 0.80 PDK2 (0.40) PGRPDK2GRM5
SCHEMBL12864211 0.79 KDM4E (0.36) PGRPDK2
SCHEMBL10053625 0.78 ESR1 (0.43) 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 3 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

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 PGR 1868/4885AR 2098/4885NR3C1 2443/4885

“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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