SCHEMBL11903024

SCHEMBL11903024

CCOC=Cc1c(NCC2CC2)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.35
CRHR1 P34998 2/20 0.35
CYP1A2 P05177 1/20 0.34
NPY5R Q15761 1/20 0.34
PDE4D Q08499 2/20 0.33
THRB P10828 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
VCP P55072 2/20 0.33
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL11903018 1.00 PI4KB (0.35) PI4KBCRHR1CYP1A2NPY5RPDE4D
SCHEMBL11913406 0.90 PI4KB (0.37) PI4KBCRHR1CYP1A2NPY5RPDE4D
SCHEMBL11918066 0.85 PI4KB (0.35) PI4KBCRHR1CYP1A2NPY5RCYP11B1
SCHEMBL11902674 0.85 ALDH1A1 (0.43) CYP1A2PDE4D
SCHEMBL12786060 0.85 ALDH1A1 (0.43) CYP1A2PDE4D
SCHEMBL11902676 0.85 ALDH1A1 (0.43) CYP1A2PDE4D
SCHEMBL11903155 0.84 CRHR1 (0.40) PI4KBCRHR1CYP1A2PDE4DPDE4A
SCHEMBL11903228 0.82 APP (0.38) THRBSOS1
SCHEMBL11903231 0.82 APP (0.38) THRBSOS1
SCHEMBL11903209 0.80 ALDH1A1 (0.42) CYP1A2PDE4DTHRBPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PI4KB 1720/4885CRHR1 3813/4885CYP1A2 75/4885

“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.