SCHEMBL13855188

SCHEMBL13855188

COc1cccc2c(B3OC(C)(C)C(C)(C)O3)c3cccc(OC)c3c(B3OC(C)(C)C(C)(C)O3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ANTXR2 P58335 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ LPL P06858 3/20 0.34
▸ LIPG Q9Y5X9 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 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
SCHEMBL2201118 0.84 NQO1 (0.38) MAOAMEN1KMT2ALMNAKDM4E
SCHEMBL28915005 0.83 CA1 (0.41) LMNAKDM4EMAPTEGFRLPL
SCHEMBL17071924 0.78 KMT2A (0.40) MAOAABCG2MEN1KMT2AGAA
SCHEMBL26647695 0.77 CSF1R (0.38) MEN1KMT2AGAALMNAKDM4E
SCHEMBL17069652 0.76 ANTXR2 (0.37) MAOAABCG2MEN1KMT2AGAA
SCHEMBL24558186 0.75 ALDH1A1 (0.46) MEN1KMT2ALMNAKDM4EPOLB
SCHEMBL5784094 0.75 IDO1 (0.41) MAOAMEN1KMT2ALMNAEGFR
SCHEMBL26058397 0.75 LPL (0.41) KMT2ALMNAKDM4EMAPTEGFR
SCHEMBL30526881 0.75 EGFR (0.37) GAALMNAKDM4EPOLBMAPT
SCHEMBL2018549 0.74 LPL (0.50) LPLLIPGCA12CA1CA2

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 MAOA 335/4885ABCG2 954/4885MEN1 1495/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG MAOA 596/4885ABCG2 2751/4885MEN1 2089/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 MAOA 335/4885ABCG2 954/4885MEN1 1495/4885

“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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