SCHEMBL29639646

SCHEMBL29639646

O=C(O)c1cc(Br)cc(C2(F)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TTR P02766 1/20 0.38
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
RXRA P19793 3/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
PPARA Q07869 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TPMT P51580 3/20 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
SCHEMBL22926164 1.00 POLB (0.39) POLBHCAR2TTRAKR1C4AKR1C3
SCHEMBL14994479 0.79 POLB (0.39) POLBHCAR2TTRRXRACA12
SCHEMBL17709956 0.78 KDM4C (0.37) POLBHCAR2TTRRXRACA12
SCHEMBL22926109 0.77 NOTUM (0.39) CA12CA1CA2CA9CA14
SCHEMBL29672160 0.77 NOTUM (0.39) CA12CA1CA2CA9CA14
SCHEMBL31646560 0.75 WDR5 (0.49) POLBHCAR2TTRMEN1KMT2A
SCHEMBL5497635 0.75 POLB (0.40) POLBHCAR2TTRRXRACA12
SCHEMBL23501889 0.73 TTR (0.56) POLBHCAR2TTRAKR1C4AKR1C3
SCHEMBL475757 0.73 TTR (0.56) POLBHCAR2TTRAKR1C4AKR1C3
SCHEMBL8361 0.73 TTR (0.56) POLBHCAR2TTRAKR1C4AKR1C3

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
CN-114761402-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-07-15 CN claimed
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
CN-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 CN disclosed
US-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
CN-114761402-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-07-15 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN 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-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES GLRX3, TARS2, CYP4F3 POLB 4676/4885HCAR2 2019/4885TTR 2374/4885

“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.