SCHEMBL903301

SCHEMBL903301

C#CCN1C(=O)C(F)(F)Oc2cc(F)c(N3C(=O)c4ccc(F)cc4C3=O)cc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GRM1 Q13255 4/20 0.32
GRM4 Q14833 2/20 0.32
MAOA P21397 3/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 1/20 0.32
MAOB P27338 2/20 0.32
GRM7 Q14831 1/20 0.32
AR P10275 2/20 0.31
PARK7 Q99497 1/20 0.31

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
SCHEMBL22039645 0.89 NR3C2 (0.38) ESR1ESR2GRM1GRM4MAOA
SCHEMBL20693054 0.87 NR3C2 (0.39) ESR1ESR2GRM1GRM4CASP3
SCHEMBL22041013 0.82 CHRM1 (0.37) ESR1ESR2GRM1GRM4CASP3
SCHEMBL39238 0.81 GRM1 (0.37) GRM1GRM4GRM7
SCHEMBL29538752 0.81 GRM1 (0.37) GRM1GRM4GRM7
SCHEMBL20591011 0.80 MAOA (0.35) MAOACASP3MAOBPARK7
SCHEMBL22039637 0.79 GRM1 (0.40) ESR1ESR2GRM1GRM4GRM7
SCHEMBL20693118 0.79 ESR1 (0.47) ESR1ESR2
SCHEMBL22039636 0.79 MAOA (0.39) GRM1GRM4MAOACASP3MAOB
SCHEMBL17891281 0.78 ALDH1A1 (0.31)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669208-B2 Herbicidal benzoxazinones BASF SE (DE) 2014-03-11 US disclosed
US-8669208-B2 Herbicidal benzoxazinones BASF SE (DE) 2014-03-11 US disclosed
US-20130184155-A1 Herbicidal Benzoxazinones BASF SE (DE) 2013-07-18 US disclosed
US-20130184155-A1 Herbicidal Benzoxazinones BASF SE (DE) 2013-07-18 US disclosed
WO-2012041789-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2012-04-05 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-20130184155-A1 Herbicidal Benzoxazinones CBR3, HAX1, CBR1 ESR1 2070/4885ESR2 2734/4885GRM1 1522/4885

“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.