SCHEMBL21398034

SCHEMBL21398034

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)nc7)cc(-c7ccccc7-c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)nc7)c6)c5-c5ccc(-c6ccccn6)nc5)c4)cn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.48
WNT3A P56704 4/20 0.36
HPGDS O60760 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CHEK2 O96017 1/20 0.34
GRM5 P41594 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
AXL P30530 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
TNKS O95271 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 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
SCHEMBL21125844 0.87 HSD17B1 (0.44) PDK2HPGDSHSD17B1HSD17B2
SCHEMBL19794372 0.87 PDK2 (0.44) PDK2HSD17B1HSD17B2
SCHEMBL19933646 0.83 PDK2 (0.43) PDK2HSD17B1HSD17B2BACE1
SCHEMBL19794435 0.83 PDK2 (0.41) PDK2HPGDSHSD17B1HSD17B2
SCHEMBL14508209 0.83 PDK2 (0.56) PDK2CTSDBACE1
SCHEMBL14508140 0.83 PDK2 (0.56) PDK2CTSDBACE1
SCHEMBL14508133 0.83 PDK2 (0.56) PDK2CTSDBACE1
SCHEMBL14508229 0.83 PDK2 (0.56) PDK2CTSDBACE1
SCHEMBL30772301 0.83 PDK2 (0.61) PDK2CNR2P4HTMTNKSCTSD
SCHEMBL3392580 0.83 PDK2 (0.61) PDK2CNR2P4HTMTNKSCTSD

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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 (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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 PDK2 3125/4885WNT3A 2956/4885HPGDS 4752/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PDK2 3125/4885WNT3A 2956/4885HPGDS 4752/4885

“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.