Sugi Predict

Sugi Predict / Compounds / SCHEMBL19933665

SCHEMBL19933665

SCHEMBL19933665

CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C(=O)Oc3ccc(-c4cc(-c5ccc(OC(=O)c6cc(B7OC(C)(C)C(C)(C)O7)cc(B7OC(C)(C)C(C)(C)O7)c6)cc5)ncn4)cc3)c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.39
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ LIPG Q9Y5X9 3/20 0.35
▸ LPL P06858 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ THRB P10828 2/20 0.35
▸ SNCA P37840 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL23018829 0.92 DGAT1 (0.36) DGAT1TP53HIF1ALIPGLPL
SCHEMBL23018828 0.86 DGAT1 (0.32) DGAT1TP53HIF1A
SCHEMBL19933596 0.83 MAPT (0.48) DGAT1TP53LIPGLPLMAPT
SCHEMBL20007197 0.79 DGAT1 (0.52) DGAT1TP53LIPGLPLMAPT
SCHEMBL19933557 0.77 LIPG (0.56) DGAT1LIPGLPLCA1CA2
SCHEMBL29016498 0.76 LIPG (0.48) DGAT1LIPGLPLMAPTPKM
SCHEMBL21125822 0.74 SMN1; SMN2 (0.47) DGAT1TP53LIPGLPLMAPT
SCHEMBL18124825 0.74 CA1 (0.53) HIF1ALIPGLPLCA1CA2
SCHEMBL19933664 0.73 KMO (0.47) TP53MAPTTHRBSMN1; SMN2CTRC
SCHEMBL19933662 0.72 DGAT1 (0.49) DGAT1TP53LIPGLPLMAPT

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 DGAT1 2586/4885TP53 2903/4885HIF1A 4811/4885
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 2586/4885TP53 2903/4885HIF1A 4811/4885

“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.