SCHEMBL19933719

SCHEMBL19933719

CC1(C)OB(c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)c5)cn4)ccn3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
LIPG Q9Y5X9 8/20 0.49
LPL P06858 7/20 0.49
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
P4HB P07237 1/20 0.37
WNT3A P56704 4/20 0.36
TGFBR1 P36897 1/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PIM1 P11309 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
SCHEMBL19933637 0.91 LIPG (0.56) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL19794354 0.87 DGAT1 (0.53) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL20696492 0.86 DGAT1 (0.47) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL19933583 0.85 DGAT1 (0.55) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL21390525 0.84 LIPG (0.50) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL23487738 0.84 LIPG (0.67) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL19933666 0.82 TGFBR1 (0.45) WNT3ATGFBR1HSD17B1HSD17B2CYP11B1
SCHEMBL29293266 0.81 LIPG (0.71) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL21390496 0.80 DGAT1 (0.43) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL20696470 0.80 DGAT1 (0.43) DGAT1LIPGLPLPDGFRBKDR

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 2586/4885LIPG 4374/4885LPL 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 2586/4885LIPG 4374/4885LPL 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.