SCHEMBL19933581

SCHEMBL19933581

CC1(C)OB(c2ccc(-c3ccnc(-c4ccc(Cl)cc4)c3)nc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
MAP4K4 O95819 1/20 0.40
LPL P06858 7/20 0.38
LIPG Q9Y5X9 7/20 0.38
TGFBR1 P36897 1/20 0.38
MAPKAPK2 P49137 1/20 0.34
PIM1 P11309 1/20 0.34
EGFR P00533 2/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
BACE1 P56817 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 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
SCHEMBL19933583 0.92 DGAT1 (0.55) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL18015506 0.90 DGAT1 (0.60) DGAT1LPLLIPGEGFRPDGFRB
SCHEMBL21125803 0.87 DGAT1 (0.57) DGAT1LPLLIPGEGFRPDGFRB
SCHEMBL19933806 0.83 MAP4K4 (0.43) DGAT1MAP4K4LPLLIPGTGFBR1
SCHEMBL21125909 0.83 DGAT1 (0.67) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL18015426 0.81 DGAT1 (0.50) DGAT1MAP4K4LPLLIPG
SCHEMBL15747792 0.80 DGAT1 (0.57) DGAT1LPLLIPG
SCHEMBL15747843 0.79 DGAT1 (0.57) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL19933582 0.79 DGAT1 (0.62) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL19933719 0.78 DGAT1 (0.49) DGAT1LPLLIPGTGFBR1PIM1

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 DGAT1 2586/4885MAP4K4 3458/4885LPL 4558/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG DGAT1 2586/4885MAP4K4 3458/4885LPL 4558/4885

“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.