SCHEMBL19933709

SCHEMBL19933709

Clc1ccc(-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.49
CNR1 P21554 2/20 0.49
MAP4K4 O95819 3/20 0.46
PIM1 P11309 1/20 0.45
SMO Q99835 2/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CTRC Q99895 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
WNT3A P56704 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 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
SCHEMBL19933666 0.92 TGFBR1 (0.45) TGFBR1PIM1SMOHSD17B1HSD17B2
SCHEMBL19933741 0.89 MAP4K4 (0.49) CNR1MAP4K4HSD17B1HSD17B2CTRC
SCHEMBL19933718 0.88 TGFBR1 (0.51) TGFBR1HSD17B1HSD17B2WNT3A
SCHEMBL18015693 0.87 NPC1 (0.46) TGFBR1CNR1MAP4K4HSD17B1HSD17B2
SCHEMBL19933687 0.85 TGFBR1 (0.48) TGFBR1CNR1MAP4K4PIM1SMO
SCHEMBL19933725 0.84 ALDH1A1 (0.44) TGFBR1PIM1SMOHSD17B1HSD17B2
SCHEMBL18573198 0.84 LDHA (0.45) MAP4K4HSD17B1HSD17B2CTRCALDH1A2
SCHEMBL21125931 0.82 HSD17B1 (0.56) HSD17B1HSD17B2
SCHEMBL18015574 0.82 LDHA (0.52) HSD17B1HSD17B2
SCHEMBL19933578 0.82 LDHA (0.52) HSD17B1HSD17B2

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 2350/4885CNR1 4303/4885MAP4K4 3458/4885
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 2350/4885CNR1 4303/4885MAP4K4 3458/4885

“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.