SCHEMBL20182015

SCHEMBL20182015

CCOP(=O)(OCC)c1cccc2ccc3cccnc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 7/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
GMNN O75496 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL20182042 0.76 LMNA (0.48) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL20182011 0.76 KDM4E (0.48) POLBKDM4EMAPTLMNAHTT
Phenanthroline SCHEMBL29226178 0.75 MAPT (0.52) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL1629546 0.73 MEN1 (0.44) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL19733317 0.73 MAPT (0.54) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL28876099 0.72 KMT2A (0.43) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL3022747 0.70 MAPT (0.51) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL9602931 0.70 MEN1 (0.41) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL10786887 0.69 KDM4E (0.57) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL31482558 0.69 KDM4E (0.57) KMT2AMEN1POLBKDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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 (1 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM KMT2A 3246/4885MEN1 351/4885POLB 1674/4885

“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.