SCHEMBL21397932

SCHEMBL21397932

CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)ccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
PGR P06401 2/20 0.39
GP6 Q9HCN6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTSR1 P30989 1/20 0.38

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
SCHEMBL17887149 0.98 MEN1 (0.44) PDK2RARARARBRARGMEN1
SCHEMBL30506430 0.98 MEN1 (0.44) PDK2RARARARBRARGMEN1
SCHEMBL19885782 0.98 MEN1 (0.44) PDK2RARARARBRARGMEN1
SCHEMBL26937604 0.98 MEN1 (0.44) PDK2RARARARBRARGMEN1
SCHEMBL13889562 0.97 PDK2 (0.44) PDK2RARARARBRARGMEN1
SCHEMBL19009500 0.95 PDK2 (0.46) PDK2RARARARBRARGMEN1
SCHEMBL17425488 0.95 PDK2 (0.46) PDK2RARARARBRARGMEN1
SCHEMBL12133886 0.95 PDK2 (0.46) PDK2RARARARBRARGMEN1
SCHEMBL30103618 0.95 PDK2 (0.46) PDK2RARARARBRARGMEN1
SCHEMBL17151897 0.95 PDK2 (0.46) PDK2RARARARBRARGMEN1

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 3125/4885RARA 2625/4885RARB 2793/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PDK2 3125/4885RARA 2625/4885RARB 2793/4885

“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.