SCHEMBL26909730

SCHEMBL26909730

COc1ccc(-c2cc(OCC(=O)O)nn2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.56
▸ MDM2 Q00987 2/20 0.56
▸ MCL1 Q07820 2/20 0.56
▸ CCKAR P32238 12/20 0.56
▸ RPA1 P27694 2/20 0.51
▸ ALOX5 P09917 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ FABP3 P05413 1/20 0.49
▸ FABP4 P15090 1/20 0.49
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ MALT1 Q9UDY8 1/20 0.48

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
SCHEMBL29074655 0.89 CCKAR (0.50) BCL2MDM2MCL1CCKARALOX5
SCHEMBL25398247 0.89 FABP3 (0.60) BCL2MDM2MCL1RPA1ALOX5
SCHEMBL25395773 0.88 CCKAR (0.60) CCKARRPA1
SCHEMBL25396045 0.88 RPA1 (0.59) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25398830 0.87 PTGS2 (0.53) CCKARRPA1PTGS1FABP3FABP4
SCHEMBL14505146 0.85 RPA1 (0.56) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25397016 0.83 BCL2 (0.55) BCL2MDM2MCL1CCKARRPA1
SCHEMBL25398267 0.79 BCL2 (0.56) BCL2MDM2MCL1CCKARRPA1
SCHEMBL29074645 0.79 FABP3 (0.52) BCL2MDM2MCL1RPA1ALOX5
SCHEMBL25433341 0.78 MEN1 (0.54) RPA1PTGS1FABP3FABP4RXRA

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 2 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
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

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 BCL2 1081/4885MDM2 1204/4885MCL1 2835/4885

“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.

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