SCHEMBL29074656

SCHEMBL29074656

CCOC(=O)COc1cc(-c2ccccc2)n(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
RECQL P46063 1/20 0.46
BCL2 P10415 2/20 0.44
MDM2 Q00987 2/20 0.44
MCL1 Q07820 2/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RPA1 P27694 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL29074654 0.90 MDM2 (0.53) FABP3CA9ALDH1A1HPGDCYP2C9
SCHEMBL29074667 0.90 CHRNA7 (0.48) FABP3ALDH1A1CYP2C9CYP2C19SLC16A3
SCHEMBL25396997 0.89 FABP3 (0.60) FABP3ALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL29074645 0.85 FABP3 (0.52) FABP3CA9ALDH1A1HPGDCYP2C9
SCHEMBL29074661 0.85 MDM2 (0.53) CA9BCL2MDM2MCL1PTGS1
SCHEMBL29074646 0.83 L3MBTL1 (0.54) FABP3BCL2MDM2MCL1SLC16A3
SCHEMBL29074670 0.83 MDM2 (0.51) FABP3CA9ALDH1A1BCL2MDM2
SCHEMBL29074649 0.82 MDM2 (0.55) FABP3ALDH1A1HPGDBCL2MDM2
SCHEMBL29074652 0.81 PTGS2 (0.51) FABP3ALDH1A1HPGDBCL2MDM2
SCHEMBL29634996 0.81 PTGS2 (0.51) FABP3ALDH1A1HPGDBCL2MDM2

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-20230389542-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US claimed
CN-116761510-A Use of [ (1, 5-diphenyl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives and salts thereof and compositions containing them for reducing the phytotoxic effect of agrochemicals, in particular herbicides, on useful plants and crops 拜耳公司 2023-09-15 CN claimed
EP-4240723-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 EP claimed
WO-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO claimed
US-20230389542-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US disclosed
CN-116761510-A Use of [ (1, 5-diphenyl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives and salts thereof and compositions containing them for reducing the phytotoxic effect of agrochemicals, in particular herbicides, on useful plants and crops 拜耳公司 2023-09-15 CN disclosed
EP-4240723-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 EP disclosed
WO-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 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-20230389542-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS DDT, HPD, AOX1 FABP3 1850/4885CA9 772/4885ALDH1A1 20/4885

“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.