SCHEMBL13855297

SCHEMBL13855297

CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(B6OC(C)(C)C(C)(C)O6)ccc4-5)ccc2-3)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.42
▸ P4HB P07237 1/20 0.41
▸ LIPG Q9Y5X9 3/20 0.39
▸ LPL P06858 2/20 0.39
▸ ROCK1 Q13464 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL13855295 0.95 PDK2 (0.45) PDK2P4HBLIPGLPLROCK1
SCHEMBL12802176 0.88 LPL (0.49) P4HBLIPGLPLROCK1CA1
SCHEMBL17401217 0.88 LPL (0.49) P4HBLIPGLPLROCK1CA1
SCHEMBL29511660 0.88 LPL (0.49) P4HBLIPGLPLROCK1CA1
SCHEMBL12181997 0.88 LPL (0.49) P4HBLIPGLPLROCK1CA1
SCHEMBL19164440 0.87 LPL (0.47) P4HBLIPGLPLROCK1CA1
SCHEMBL19164658 0.87 LPL (0.47) P4HBLIPGLPLROCK1CA1
SCHEMBL17816719 0.87 LPL (0.47) P4HBLIPGLPLROCK1CA1
SCHEMBL21995589 0.84 LPL (0.45) P4HBLIPGLPLROCK1CA1
SCHEMBL21380081 0.81 LPL (0.47) P4HBLIPGLPLROCK1CA1

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 12 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
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 PDK2 955/4885P4HB 3871/4885LIPG 2769/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG PDK2 1562/4885P4HB 3554/4885LIPG 2564/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 PDK2 955/4885P4HB 3871/4885LIPG 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.

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