SCHEMBL20958130

SCHEMBL20958130

CC(C)(C)c1cc(Br)nc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
HIF1A Q16665 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR1D P28221 2/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL26860342 0.85 POLB (0.38) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL9007713 0.84 KDM4E (0.38) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL22243287 0.84 GABRA1 (0.34) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL13737013 0.79 ALDH1A1 (0.34) HIF1AALDH1A1HPGDALOX15HSD17B10
SCHEMBL22139804 0.77 GABRA1 (0.34) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL23594524 0.74 METAP2 (0.38) MAPTS1PR1S1PR3TSHRKIF11
SCHEMBL2480104 0.72 CES2 (0.37) KDM4ES1PR1S1PR3ALDH1A1TSHR
SCHEMBL10999248 0.72 TSHR (0.33) TSHR
SCHEMBL93161 0.71 GABRA1 (0.69) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL25938656 0.71 GABRA2 (0.38) GABRA1GABRB2KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286448-B2 Organometallic compound, organic light-emitting device including oranometallic compound, and diagnostic composition including organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-04-29 US disclosed
US-20240324443-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-09-26 US disclosed
US-11765969-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-19 US disclosed
US-11765969-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-19 US disclosed
US-11765969-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-19 US disclosed
CN-111689945-A Organometallic compound and organic light-emitting device including the same 三星显示有限公司 2020-09-22 CN disclosed
US-20200295280-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 US disclosed
US-20190135844-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-05-09 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 (5 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-20190135844-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND ORC3, ORMDL3, OR10J3 GABRA1 2567/4885GABRB2 3875/4885KDM4E 3375/4885
US-11765969-B2 Organometallic compound and organic light-emitting device including the same LEF1, GPX1, PPOX GABRA1 2147/4885GABRB2 2797/4885KDM4E 1331/4885
US-12286448-B2 Organometallic compound, organic light-emitting device including oranometallic compound, and diagnostic composition including organometallic compound ORC3, ORMDL3, OCIAD1 GABRA1 3954/4885GABRB2 4604/4885KDM4E 1659/4885
US-20200295280-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORMDL3, ORC3, OR10J3 GABRA1 2526/4885GABRB2 3068/4885KDM4E 1076/4885
US-20240324443-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND LAGE3, GPX1, NFE2L2 GABRA1 2406/4885GABRB2 3184/4885KDM4E 993/4885

“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.