SCHEMBL16787352

SCHEMBL16787352

Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
PDK2 Q15119 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 2/20 0.32
BCHE P06276 4/20 0.31
SLC6A3 Q01959 2/20 0.31
NOX1 Q9Y5S8 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ACHE P22303 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL21743573 0.90 OPRM1 (0.34) OPRM1OPRD1PDK2LMNABCHE
SCHEMBL23696826 0.88 LMNA (0.36) OPRM1OPRD1LMNABCHESLC6A3
SCHEMBL23697049 0.87 BCHE (0.37) OPRM1OPRD1LMNABCHESLC6A3
SCHEMBL23697270 0.86 MAPK1 (0.41) OPRM1OPRD1PDK2GABRA1GABRB2
SCHEMBL23697268 0.85 NOX1 (0.38) OPRM1OPRD1PDK2NOX1
SCHEMBL25705121 0.85 ALDH1A1 (0.33) OPRM1OPRD1GABRA1GABRB2NOX1
SCHEMBL28267231 0.84 NOX1 (0.41) LMNABCHESLC6A3NOX1MEN1
SCHEMBL29484935 0.83 PDK2 (0.44) OPRM1OPRD1PDK2LMNABCHE
SCHEMBL23164406 0.83 PDK2 (0.44) OPRM1OPRD1PDK2LMNABCHE
SCHEMBL23697261 0.81 GABRG2 (0.37) GABRA1BCHESLC6A3MEN1KMT2A

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-20230183201-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME DUK SAN NEOLUX CO., LTD. (KR) 2023-06-15 US disclosed
US-20230183201-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME DUK SAN NEOLUX CO., LTD. (KR) 2023-06-15 US disclosed
WO-2021261856-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021149998-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2021-07-29 WO disclosed
WO-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 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 (2 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 OPRM1 301/4885OPRD1 92/4885PDK2 2209/4885
US-20230183201-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME ORAI2, OR10J3, OR51E2 OPRM1 3874/4885OPRD1 4344/4885PDK2 2014/4885

“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.