SCHEMBL16296743

SCHEMBL16296743

COc1cc(-c2ccccc2)ccc1B(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.57
MGLL Q99685 2/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
APAF1 O14727 1/20 0.42

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
SCHEMBL29520112 1.00 ENPP2 (0.57) ENPP2MGLLORAI1ORAI2ORAI3
SCHEMBL17253002 0.85 ENPP2 (0.57) ENPP2MGLLORAI1ORAI2ORAI3
SCHEMBL16296701 0.84 FYN (0.50) ENPP2ALDH1A1KDM4EHPGD
SCHEMBL15010355 0.79 ENPP2 (0.44) ENPP2ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL4533772 0.78 L3MBTL1 (0.62) CA1CA2NPC1RAB9AL3MBTL1
SCHEMBL28337114 0.77 ENPP2 (0.41) ENPP2L3MBTL1KDM4EATM
SCHEMBL30957832 0.77 POLB (0.62) CA1CA2RAB9AALDH1A1TSHR
SCHEMBL2524920 0.77 POLB (0.62) CA1CA2RAB9AALDH1A1TSHR
SCHEMBL4635995 0.75 KDM4E (0.50) NPC1RAB9AL3MBTL1ALDH1A1TSHR
SCHEMBL17252999 0.75 ALOX5 (0.59) MGLLCA1CA2ALDH1A1HSD17B10

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877511-B2 Materials for organic light emitting devices MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11877511-B2 Materials for organic light emitting devices MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20230125939-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20230125939-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20220165961-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-26 US disclosed
EP-3596066-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-18 EP disclosed
US-20220119373-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-10961230-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-03-30 US disclosed
EP-3423542-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-14 US disclosed
US-20170207399-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-20 US disclosed
US-20170186965-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-06-29 US disclosed
US-20170186965-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-06-29 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
WO-2016023608-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-18 WO disclosed
WO-2016015810-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 WO disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 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 (9 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-20170186965-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES DDT, ESD, ETFA ENPP2 2796/4885MGLL 3885/4885ORAI1 4172/4885
US-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, TRDMT1, ESD ENPP2 2689/4885MGLL 4346/4885ORAI1 3062/4885
US-20230125939-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES DDT, ESD, ETFA ENPP2 2796/4885MGLL 3885/4885ORAI1 4172/4885
US-10961230-B2 Materials for organic electroluminescent devices DDT, PNMT, INMT ENPP2 2710/4885MGLL 4455/4885ORAI1 3224/4885
US-20170207399-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ESD, TST ENPP2 2685/4885MGLL 4214/4885ORAI1 3410/4885
US-20220119373-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, PNMT, ESD ENPP2 1825/4885MGLL 4487/4885ORAI1 3043/4885
US-20220165961-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ESD, TST ENPP2 2685/4885MGLL 4214/4885ORAI1 3410/4885
US-11877511-B2 Materials for organic light emitting devices DDT, ESD, ETFA ENPP2 2796/4885MGLL 3885/4885ORAI1 4172/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A ENPP2 1460/4885MGLL 3892/4885ORAI1 156/4885

“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.