SCHEMBL19781094

SCHEMBL19781094

CC1(C)OB(c2ccc(-c3ccccn3)cc2-c2ccccc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
TNKS O95271 2/20 0.39
DGAT1 O75907 1/20 0.38
PDK2 Q15119 1/20 0.38
KDR P35968 2/20 0.37
PDGFRB P09619 1/20 0.37
TGFBR1 P36897 1/20 0.37
TP53 P04637 2/20 0.36
PKM P14618 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KLF5 Q13887 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15856871 0.92 LPL (0.42) LPLLIPGTNKSDGAT1PDK2
SCHEMBL9974978 0.86 LPL (0.40) LPLLIPGTNKSDGAT1PDK2
SCHEMBL18015450 0.84 LPL (0.40) LPLLIPGDGAT1PDK2TP53
SCHEMBL19781097 0.83 LPL (0.39) LPLLIPGDGAT1KDRPDGFRB
SCHEMBL30951709 0.83 LIPG (0.59) LPLLIPGDGAT1KDRPDGFRB
SCHEMBL21065676 0.83 LIPG (0.59) LPLLIPGDGAT1KDRPDGFRB
SCHEMBL18015430 0.82 CBFB (0.37) LPLLIPGDGAT1PDK2KDR
SCHEMBL15856869 0.82 LPL (0.42) LPLLIPGTNKSDGAT1PDK2
SCHEMBL19833341 0.81 LIPG (0.45) LPLLIPGTNKSDGAT1PDK2
SCHEMBL21289786 0.81 ERN1 (0.43) LPLLIPGDGAT1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3487864-B1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018019688-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (5 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-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA LPL 4791/4885LIPG 4455/4885TNKS 1092/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885TNKS 3414/4885
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MCU, AP3M1, AP2M1 LPL 3527/4885LIPG 3307/4885TNKS 3482/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885TNKS 3414/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885TNKS 3414/4885

“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.