SCHEMBL21411331

SCHEMBL21411331

Cc1ccc(C=CCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.45
RELA Q04206 1/20 0.42
CA1 P00915 1/20 0.42
FBP1 P09467 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPT P10636 2/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
MDM2 Q00987 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21411330 1.00 NFE2L2 (0.45) NFE2L2RELACA1FBP1ALOX5
SCHEMBL11331094 0.82 NFE2L2 (0.48) NFE2L2RELACA1FBP1ALOX5
SCHEMBL11051475 0.82 NFE2L2 (0.48) NFE2L2RELACA1FBP1ALOX5
SCHEMBL2302497 0.80 NFE2L2 (0.46) NFE2L2RELACA1FBP1ALOX5
SCHEMBL1051328 0.80 NFE2L2 (0.46) NFE2L2RELACA1FBP1ALOX5
SCHEMBL6963714 0.80 NFE2L2 (0.46) NFE2L2RELACA1FBP1ALOX5
SCHEMBL5808056 0.78 CA1 (0.47) NFE2L2RELACA1FBP1ALOX5
SCHEMBL8325852 0.78 NFE2L2 (0.45) NFE2L2RELACA1FBP1ALOX5
SCHEMBL2169600 0.78 NFE2L2 (0.46) NFE2L2FBP1PTGS1GRIK1GRIK2
SCHEMBL2169604 0.78 NFE2L2 (0.46) NFE2L2FBP1PTGS1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
EP-3773566-A1 OX2R COMPOUNDS Board of Regents, The University of Texas System (US) 2021-02-17 EP disclosed
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 CN disclosed
WO-2019191327-A1 OX2R COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 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 (7 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NFE2L2 1381/4885RELA 3277/4885CA1 2727/4885

“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.