SCHEMBL21397926

SCHEMBL21397926

CCC(C)COc1cc(-c2ccc(OC(C)C)c(OCC(C)CC)c2)c(P(=O)(c2ccccc2)c2cc(OC)c(OCC(C)CC)cc2-c2ccc(OC)c(OCC(C)CC)c2)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
DHODH Q02127 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.32
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL19933711 0.90 DHODH (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL132074 0.84 TLR8 (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL24380085 0.73 DHODH (0.31) DHODH
SCHEMBL10039258 0.66
SCHEMBL13191851 0.63 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL12844314 0.62 LMNA (0.56) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5147675 0.62 TLR8 (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12856555 0.62 MAPT (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28445964 0.61 KMT2A (0.46) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL2764055 0.61 TLR8 (0.38) PDE4APDE4BPDE4CPDE4DMAPT

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 PDE4A 4611/4885PDE4B 4676/4885PDE4C 4277/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PDE4A 4611/4885PDE4B 4676/4885PDE4C 4277/4885

“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.