SCHEMBL21037458

SCHEMBL21037458

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6cccc(-c7ccc(N(c8ccc(-c9cccc(-c%10cccc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)c%10)c9)cc8)c8cc9c%10ccccc%10c(N(c%10ccc(C)cc%10)c%10ccc(C)cc%10)cc9c9ccccc89)cc7)c6)c5)ccc3-4)cc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
CRHR1 P34998 1/20 0.31
ICMT O60725 1/20 0.30

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
SCHEMBL21037374 0.95 PDK2 (0.31) PDK2
SCHEMBL21037527 0.92
SCHEMBL21037525 0.91
SCHEMBL26430986 0.91
SCHEMBL26431371 0.91 PDK2 (0.30) PDK2
SCHEMBL26431771 0.91 PDK2 (0.31) PDK2
SCHEMBL26430993 0.89
SCHEMBL21037126 0.89
SCHEMBL21037526 0.88 CNR2 (0.30)
SCHEMBL22694881 0.87 PDK2 (0.33) PDK2ICMT

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
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
US-20210024481-A1 MATERIALS FOR ORGANIC ELETROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-28 US disclosed
WO-2019101835-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 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 (2 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-20210024481-A1 MATERIALS FOR ORGANIC ELETROLUMINESCENT DEVICES GLB1, EFNA1, L1CAM PDK2 2270/4885CRHR1 4206/4885ICMT 241/4885
US-11639339-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM PDK2 1024/4885CRHR1 3878/4885ICMT 250/4885

“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.