SCHEMBL4452562

SCHEMBL4452562

CCCC[C@@](C)(Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.47
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
FFAR1 O14842 2/20 0.38

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
SCHEMBL5442371 1.00 TBXA2R (0.47) TBXA2RPPARGPPARAPPARDS1PR1
SCHEMBL9644757 0.83 PPARA (0.49) TBXA2RPPARGPPARAPPARD
SCHEMBL10383517 0.82 TBXA2R (0.42) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL12674438 0.81 TBXA2R (0.46) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL6829635 0.80 MAPK14 (0.41) TBXA2RPPARGPPARAPPARDALDH1A1
SCHEMBL10411274 0.78 TBXA2R (0.41) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL5403728 0.78 TBXA2R (0.46) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL5372818 0.76 TBXA2R (0.46) TBXA2RPPARGPPARAFFAR1
SCHEMBL8884866 0.75 TBXA2R (0.44) TBXA2RFFAR1
Cyhalofop-Butyl SCHEMBL29395915 0.74 GAA (0.47) TBXA2RFFAR1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160841-B2 Uniformly spreadable granular agricultural chemicals formulation and method for scattering (applying) thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-09 US claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
EP-0714602-B1 Sulphonylaminophenyluracil herbicides for paddy field BAYER AGROCHEM KK (JP) 1999-05-12 EP claimed
US-5641725-A Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US claimed
EP-0714602-A1 Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1996-06-05 EP claimed
JP-6145006-A None JP disclosed
JP-9095404-A None JP disclosed
EP-4258878-B1 HERBICIDE COMPOSITION UPL CORPORATION LTD (MU) 2025-02-19 EP disclosed
US-20240049712-A1 HERBICIDE COMPOSITION UPL CORPORATION LTD (MU) 2024-02-15 US disclosed
EP-4258878-A1 HERBICIDE COMPOSITION UPL Corporation Limited (MU) 2023-10-18 EP disclosed
WO-2022148949-A1 HERBICIDE COMPOSITION UPL Corporation Limited (MU) 2022-07-14 WO disclosed
WO-2000008932-A1 HERBICIDES WITH ACYLATED AMINOPHENYLSULFONYL UREA AVENTIS CROPSCIENCE GMBH (DE) 2000-02-24 WO disclosed
EP-0714602-B1 Sulphonylaminophenyluracil herbicides for paddy field BAYER AGROCHEM KK (JP) 1999-05-12 EP disclosed
US-5641725-A Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
JP-H0995404-A WATER-BASED EMULSION SUSPENSION OF HERBICIDE COMPOSITION TOKUYAMA CORP 1997-04-08 JP disclosed
EP-0714602-A1 Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1996-06-05 EP disclosed
JP-H06145006-A HERBICIDE COMPOSITION DOWELANCO 1994-05-24 JP disclosed
JP-H00995404-A 0001-01-01 JP 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 (2 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 TBXA2R 4210/4885PPARG 129/4885PPARA 259/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 TBXA2R 3852/4885PPARG 126/4885PPARA 283/4885

“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.