SCHEMBL29074645

SCHEMBL29074645

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
FABP4 P15090 1/20 0.52
MDM2 Q00987 5/20 0.52
MCL1 Q07820 5/20 0.52
BCL2 P10415 4/20 0.52
PTGS1 P23219 2/20 0.50
ALOX5 P09917 1/20 0.50
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RPA1 P27694 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 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) FABP3FABP4MDM2MCL1BCL2
SCHEMBL25398247 0.89 FABP3 (0.60) FABP3FABP4MDM2MCL1BCL2
SCHEMBL29074655 0.89 CCKAR (0.50) MDM2MCL1BCL2PTGS1ALOX5
SCHEMBL29074656 0.85 FABP3 (0.52) FABP3MDM2MCL1BCL2PTGS1
SCHEMBL29074646 0.85 L3MBTL1 (0.54) FABP3FABP4MDM2MCL1BCL2
SCHEMBL29074661 0.85 MDM2 (0.53) FABP4MDM2MCL1BCL2PTGS1
SCHEMBL29074652 0.83 PTGS2 (0.51) FABP3FABP4MDM2MCL1BCL2
SCHEMBL29634996 0.83 PTGS2 (0.51) FABP3FABP4MDM2MCL1BCL2
SCHEMBL29074670 0.83 MDM2 (0.51) FABP3FABP4MDM2MCL1BCL2
SCHEMBL29074649 0.82 MDM2 (0.55) FABP3FABP4MDM2MCL1BCL2

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 1850/4885FABP4 2724/4885MDM2 1204/4885

“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.