SCHEMBL5050103

SCHEMBL5050103

CC(C)(C)Sc1ccccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
LIPE Q05469 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CETP P11597 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL29950853 0.81 ALDH1A1 (0.38) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL24181642 0.80 ENPP2 (0.31) ENPP2
SCHEMBL6934720 0.78 AOC3 (0.37) CETPMAPT
SCHEMBL29367623 0.75 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL24389 0.75 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL7189135 0.73 ALDH1A1 (0.44) CA4CA5ACA14CA5BCETP
SCHEMBL7189127 0.70 CETP (0.34) CA4CA7CETP
SCHEMBL7930508 0.70 ACHE (0.43) CA7
SCHEMBL1275601 0.70 GABRA1 (0.42) CA6MAPT
SCHEMBL3786749 0.70 SIRT1 (0.46) ENPP2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800786-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-24 US disclosed
US-11545631-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-03 US disclosed
US-20210143332-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 US disclosed
CN-112786817-A Organic electroluminescent device 三星显示有限公司 2021-05-11 CN disclosed
CN-111349107-A Organic electroluminescent device and polycyclic compound for organic electroluminescent device 三星显示有限公司 2020-06-30 CN disclosed
US-20200203627-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-06-25 US disclosed
US-20080138635-A1 Conjugated Organic Molecules for Molecular Electronic Devices NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-06-12 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 (4 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-11800786-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device ODC1, AOC2, EED ENPP2 4412/4885ORAI1 265/4885ORAI2 35/4885
US-20200203627-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EED, OCIAD2, AOC1 ENPP2 4256/4885ORAI1 2126/4885ORAI2 533/4885
US-20210143332-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE ODC1, AOC2, EED ENPP2 4412/4885ORAI1 265/4885ORAI2 35/4885
US-11545631-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device EED, OCIAD2, AOC1 ENPP2 4256/4885ORAI1 2126/4885ORAI2 533/4885

“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.