SCHEMBL21397874

SCHEMBL21397874

C=COc1cccc(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
CYP3A4 P08684 2/20 0.58
ACHE P22303 2/20 0.53
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAPDH P04406 1/20 0.43

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
Ethylene SCHEMBL28866733 0.85 LMNA (0.70) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL249305 0.84 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL17028900 0.84 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL14356503 0.84 LMNA (0.59) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL4252848 0.80 ALDH1A1 (0.36) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL13930374 0.79 LMNA (0.68) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL803825 0.79 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL411374 0.79 CYP3A4 (0.58) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL3967118 0.78 ACHE (0.56) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL9986884 0.78 KMT2A (0.54) KMT2AMEN1MAPTPOLBALDH1A1

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 LMNA 3190/4885CYP3A4 2377/4885ACHE 2697/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LMNA 3190/4885CYP3A4 2377/4885ACHE 2697/4885

“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.