SCHEMBL19933666

SCHEMBL19933666

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)c7)cn6)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
DYRK1A Q13627 2/20 0.44
ASIC3 Q9UHC3 1/20 0.44
WNT3A P56704 2/20 0.42
LDHA P00338 1/20 0.41
HPGDS O60760 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SMO Q99835 2/20 0.40
PIM1 P11309 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL19933718 0.96 TGFBR1 (0.51) TGFBR1HSD17B1HSD17B2DYRK1AWNT3A
SCHEMBL19933725 0.92 ALDH1A1 (0.44) TGFBR1HSD17B1HSD17B2DYRK1AASIC3
SCHEMBL19933709 0.92 TGFBR1 (0.49) TGFBR1HSD17B1HSD17B2ASIC3WNT3A
SCHEMBL18015360 0.88 HPGDS (0.49) TGFBR1HSD17B1HSD17B2LDHAHPGDS
SCHEMBL21125931 0.87 HSD17B1 (0.56) HSD17B1HSD17B2DYRK1ALDHAHPGDS
SCHEMBL19933578 0.87 LDHA (0.52) HSD17B1HSD17B2DYRK1ALDHAHPGDS
SCHEMBL18015574 0.87 LDHA (0.52) HSD17B1HSD17B2DYRK1ALDHAHPGDS
SCHEMBL21125087 0.86 HSD17B1 (0.49) TGFBR1HSD17B1HSD17B2WNT3AHPGDS
SCHEMBL21125929 0.86 CHEK2 (0.49) TGFBR1LDHAHPGDSNPC1
SCHEMBL23487709 0.85 ASIC3 (0.50) TGFBR1ASIC3SMOPIM1

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 TGFBR1 2350/4885HSD17B1 4880/4885HSD17B2 4870/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG TGFBR1 2350/4885HSD17B1 4880/4885HSD17B2 4870/4885

“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.