SCHEMBL24152145

SCHEMBL24152145

CC(Br)C(=O)OCC1COC(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CA1 P00915 1/20 0.32
DGAT1 O75907 1/20 0.31
APP P05067 1/20 0.31
HCRTR2 O43614 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F10 P00742 1/20 0.31
HCRTR1 O43613 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
SCHEMBL12133986 0.87 CA2 (0.51) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL18195526 0.83 CA2 (0.48) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL18395904 0.82 CA2 (0.56) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL6575404 0.82 CA2 (0.56) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL461346 0.82 CA2 (0.56) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL6943821 0.82 CA2 (0.56) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL13063460 0.81 CA2 (0.51) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL15225887 0.80 CA2 (0.54) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL15226054 0.80 CA2 (0.54) CA2HTR7ALDH1A1NPSR1TMEM97
SCHEMBL18395905 0.80 CA2 (0.54) CA2HTR7ALDH1A1NPSR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-07-20 US disclosed
EP-4169910-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2021259224-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF 沈阳中化农药化工研发有限公司 2021-12-30 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 (1 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-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF NOTUM, CYP3A5, DDT CA2 381/4885HTR7 1955/4885ALDH1A1 187/4885

“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.