SCHEMBL19933728

SCHEMBL19933728

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.47
HPGDS O60760 1/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
FEN1 P39748 2/20 0.42
DYRK1A Q13627 1/20 0.42
USP7 Q93009 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ALOX5AP P20292 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL18015574 0.94 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL19933578 0.94 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL21721920 0.93 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL19794370 0.93 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2DYRK1A
SCHEMBL19794431 0.93 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2DYRK1A
SCHEMBL18015495 0.93 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2DYRK1A
SCHEMBL21125931 0.91 HSD17B1 (0.56) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL21721921 0.88 NPC1 (0.48) LDHAHPGDSHSD17B1HSD17B2DYRK1A
SCHEMBL21125581 0.88 MEN1 (0.49) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL18015360 0.88 HPGDS (0.49) LDHAHPGDSHSD17B1HSD17B2

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
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 LDHA 2820/4885HPGDS 4674/4885HSD17B1 4880/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LDHA 2820/4885HPGDS 4674/4885HSD17B1 4880/4885

“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.