SCHEMBL20007153

SCHEMBL20007153

CC12CCC(C)(CC1)c1cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
LIPG Q9Y5X9 10/20 0.41
LPL P06858 9/20 0.41
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
SNCA P37840 1/20 0.33
BACE1 P56817 1/20 0.33
FFAR1 O14842 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL19295083 0.95 DGAT1 (0.49) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL18015417 0.87 DGAT1 (0.57) DGAT1LIPGLPLSNCA
SCHEMBL19295085 0.85 DGAT1 (0.49) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL17486009 0.84 DGAT1 (0.54) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL21125909 0.83 DGAT1 (0.67) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL29688284 0.83 DGAT1 (0.52) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL17477815 0.83 DGAT1 (0.52) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL17486107 0.83 DGAT1 (0.52) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL17486187 0.81 DGAT1 (0.46) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL17486181 0.81 DGAT1 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US 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
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-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 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 (3 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 DGAT1 1147/4885LIPG 3438/4885LPL 3633/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 DGAT1 1147/4885LIPG 3438/4885LPL 3633/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT DGAT1 1932/4885LIPG 3633/4885LPL 3762/4885

“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.