SCHEMBL13855293

SCHEMBL13855293

CC1(C)OB(c2ccc(N(c3ccc(/C=C/c4ccc(/C=C/c5ccc(N(c6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c6ccc(B7OC(C)(C)C(C)(C)O7)cc6)cc5)cc4)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.51
LPL P06858 13/20 0.49
LIPG Q9Y5X9 13/20 0.49
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 2/20 0.40
ESR2 Q92731 1/20 0.37
RELA Q04206 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 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
SCHEMBL13636787 1.00 P4HB (0.51) P4HBLPLLIPGCA1CA2
SCHEMBL12292077 0.89 LPL (0.58) P4HBLPLLIPGCA1CA2
SCHEMBL15132543 0.89 P4HB (0.59) P4HBLPLLIPGCA1CA2
SCHEMBL10281612 0.89 P4HB (0.59) P4HBLPLLIPGCA1CA2
SCHEMBL23966773 0.87 LPL (0.46) P4HBLPLLIPGCA1CA2
SCHEMBL15583750 0.87 LPL (0.46) P4HBLPLLIPGCA1CA2
SCHEMBL23219387 0.87 LPL (0.46) P4HBLPLLIPGCA1CA2
SCHEMBL13636790 0.85 LIPG (0.45) P4HBLPLLIPGRELA
SCHEMBL15222374 0.84 LIPG (0.67) P4HBLPLLIPGCA1CA2
SCHEMBL623421 0.82 P4HB (0.66) P4HBLPLLIPGCA1CA2

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-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
EP-1888706-B1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 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 (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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 P4HB 3871/4885LPL 4156/4885LIPG 2769/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG P4HB 3554/4885LPL 3746/4885LIPG 2564/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 P4HB 3871/4885LPL 4156/4885LIPG 2769/4885

“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.