SCHEMBL19794344

SCHEMBL19794344

Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.42
LPL P06858 6/20 0.42
DGAT1 O75907 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIM1 P11309 1/20 0.37
CYP17A1 P05093 1/20 0.36
TGFBR1 P36897 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
IDO1 P14902 1/20 0.35
BRD4 O60885 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL18015447 0.86 LIPG (0.47) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL19794342 0.85 LIPG (0.47) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL18015367 0.84 LIPG (0.56) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL18015329 0.84 LIPG (0.57) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL19933764 0.82 LIPG (0.40) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL18015347 0.81 LIPG (0.58) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL21202789 0.79 ADORA2A (0.44) ADORA2AADORA1PIM1CYP17A1TGFBR1
SCHEMBL18015339 0.79 ADORA2A (0.44) ADORA2AADORA1PIM1TGFBR1IDO1
SCHEMBL21202818 0.78 ADORA2A (0.43) KDRADORA2AADORA1PIM1TGFBR1
SCHEMBL21397945 0.77 LIPG (0.45) LIPGLPLDGAT1PDGFRBKDR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11145828-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-10-12 US disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
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
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
US-20190252628-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-15 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-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO 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
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US 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 (9 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 LIPG 4374/4885LPL 4558/4885DGAT1 2586/4885
US-11145828-B2 Metal complexes AP1M1, AP2M1, AP3M1 LIPG 3552/4885LPL 3726/4885DGAT1 2072/4885
US-20190252628-A1 METAL COMPLEXES AP1M1, AP2M1, AP3M1 LIPG 3552/4885LPL 3726/4885DGAT1 2072/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 LIPG 3438/4885LPL 3633/4885DGAT1 1147/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LIPG 4459/4885LPL 4682/4885DGAT1 1835/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LIPG 4374/4885LPL 4558/4885DGAT1 2586/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LIPG 3693/4885LPL 3416/4885DGAT1 1328/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LIPG 3438/4885LPL 3633/4885DGAT1 1147/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT LIPG 3633/4885LPL 3762/4885DGAT1 1932/4885

“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.