SCHEMBL20068645

SCHEMBL20068645

CC1(C)OB(c2ccc(-c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)cc2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.58
LIPG Q9Y5X9 12/20 0.58
DGAT1 O75907 2/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 1/20 0.41
SNCA P37840 1/20 0.40
P4HB P07237 1/20 0.39

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
SCHEMBL31084022 0.88 LPL (0.53) LPLLIPGDGAT1CA1CA2
SCHEMBL2147192 0.88 LIPG (0.61) LPLLIPGDGAT1P4HB
SCHEMBL2014775 0.86 LIPG (0.62) LPLLIPGDGAT1CA1CA2
SCHEMBL12100245 0.85 LPL (0.50) LPLLIPGDGAT1CA1CA2
SCHEMBL29362072 0.84 LIPG (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL19933573 0.83 LIPG (0.63) LPLLIPGCA1CA2CA9
SCHEMBL31378538 0.81 LPL (0.40) LPLLIPGDGAT1
SCHEMBL31463154 0.81 LIPG (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL24608995 0.80 LIPG (0.83) LPLLIPGCA1CA2CA9
SCHEMBL2707320 0.80 LIPG (0.83) LPLLIPGCA1CA2CA9

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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT LPL 3762/4885LIPG 3633/4885DGAT1 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.