SCHEMBL19933600

SCHEMBL19933600

Brc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
LDHA P00338 2/20 0.45
HPGDS O60760 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
DYRK1A Q13627 1/20 0.38
MCL1 Q07820 1/20 0.38
MAP4K4 O95819 1/20 0.38
DHODH Q02127 1/20 0.38
USP7 Q93009 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHEK2 O96017 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
KDM6B O15054 1/20 0.36

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
SCHEMBL21125411 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL18015263 0.91 MAPK1 (0.57) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL19933725 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL19933811 0.87 HSD17B1 (0.53) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL18015574 0.87 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19933578 0.87 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19933810 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL21390899 0.86 HSD17B1 (0.53) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL21142186 0.86 HSD17B1 (0.53) ALDH1A1MAPK1LDHAHPGDSHSD17B1
SCHEMBL19794353 0.86 LDHA (0.45) MAPK1LDHAHPGDSHSD17B1HSD17B2

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 ALDH1A1 3712/4885MAPK1 4579/4885LDHA 2820/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG ALDH1A1 3712/4885MAPK1 4579/4885LDHA 2820/4885

“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.