SCHEMBL5403728

SCHEMBL5403728

CCCC[C@H](COc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.46
PTGES O14684 4/20 0.41
ALOX5 P09917 4/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
FFAR1 O14842 2/20 0.40

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
SCHEMBL5372818 0.81 TBXA2R (0.46) TBXA2RPTGESALOX5PPARGPPARA
SCHEMBL27517899 0.80 TBXA2R (0.45) TBXA2RFFAR1
SCHEMBL5403733 0.78 TBXA2R (0.44) TBXA2RFFAR1
SCHEMBL5442371 0.78 TBXA2R (0.47) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL4452562 0.78 TBXA2R (0.47) TBXA2RPPARGPPARAPPARDFFAR1
SCHEMBL18408651 0.76 PTGDR2 (0.53) TBXA2RPPARGPPARDFFAR1
Cyhalofop-Butyl SCHEMBL29395915 0.76 GAA (0.47) TBXA2RFFAR1
Cyhalofop-Butyl SCHEMBL28218726 0.76 GAA (0.47) TBXA2RFFAR1
Cyhalofop-Butyl SCHEMBL56020 0.76 GAA (0.47) TBXA2RFFAR1
Cyhalofop-Butyl SCHEMBL28275004 0.76 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7202196-B2 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2007-04-10 US disclosed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US disclosed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US disclosed
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2005-04-21 US disclosed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 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 (3 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 4210/4885PTGES 2839/4885ALOX5 4194/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 TBXA2R 3852/4885PTGES 3361/4885ALOX5 4079/4885
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative DDT, DYRK4, DYRK3 TBXA2R 3159/4885PTGES 2927/4885ALOX5 2691/4885

“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.