SCHEMBL20006903

SCHEMBL20006903

CC1(C)OB(c2ccc(-n3nc4ccccc4n3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.53
LIPG Q9Y5X9 12/20 0.53
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
P4HB P07237 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ESR2 Q92731 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL28507239 0.85 LIPG (0.60) LPLLIPGKDM4EHPGDHTT
SCHEMBL31614465 0.83 KDM4E (0.44) LPLLIPGKDM4EHPGDHTT
SCHEMBL13237477 0.80 LPL (0.40) LPLLIPGHTTP4HBESR2
SCHEMBL28509734 0.80 ALOX5 (0.43) LPLLIPGKDM4EHPGDHTT
SCHEMBL2023563 0.78 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL12100577 0.76 LPL (0.44) LPLLIPGP4HBCA1CA2
SCHEMBL3497920 0.75 HTT (0.55) LPLLIPGHTT
SCHEMBL352617 0.75 LPL (0.40) LPLLIPGKDM4EHPGDHTT
SCHEMBL12099753 0.74 LPL (0.45) LPLLIPGP4HBCA1CA2
SCHEMBL228212 0.74 LPL (0.71) LPLLIPGP4HBCA1CA2

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
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 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
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US 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 (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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 LPL 3633/4885LIPG 3438/4885KDM4E 4613/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LPL 3633/4885LIPG 3438/4885KDM4E 4613/4885

“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.