SCHEMBL19933641

SCHEMBL19933641

c1ccc(-c2cc(-c3ccccc3-c3cnc4c(ccc5ccccc54)c3)cc(-c3ccccc3-c3cnc4c(ccc5ccccc54)c3)c2)c(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6cnc7c(ccc8ccccc87)c6)cc(-c6ccccc6-c6cnc7c(ccc8ccccc87)c6)c5)cn4)cc3)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
FEN1 P39748 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALOX5AP P20292 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PARP1 P09874 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PIM1 P11309 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HSP90AA1 P07900 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL18015696 0.97 KDM4E (0.43) KDM4ECYP11B1CYP11B2IDO1TDO2
SCHEMBL19794380 0.90 KDM4E (0.42) KDM4EPARP1PDGFRBPDGFRACA12
SCHEMBL18015699 0.84 KDM4E (0.39) KDM4EIDO1TDO2PARP1PDGFRB
SCHEMBL22563395 0.83 KDM4E (0.38) KDM4EPARP1PDGFRBPDGFRACA12
SCHEMBL19933707 0.83 ALDH1A1 (0.40) KDM4EPARP1PDGFRBPDGFRACA12
SCHEMBL19794466 0.82 KDM4E (0.35) KDM4EIDO1TDO2PARP1HSD17B1
SCHEMBL19794447 0.82 NPC1 (0.40) KDM4ECYP11B1CYP11B2IDO1TDO2
SCHEMBL18015584 0.81 KDM4E (0.65) KDM4EIDO1TDO2PARP1HSD17B1
SCHEMBL19794377 0.79 CYP11B1 (0.46) KDM4EFEN1CYP11B1CYP11B2IDO1
SCHEMBL12786342 0.78 KDM4E (0.54) KDM4EPARP1PDGFRBPDGFRACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 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 (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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG KDM4E 4048/4885FEN1 681/4885CYP11B1 4686/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG KDM4E 4048/4885FEN1 681/4885CYP11B1 4686/4885

“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.