SCHEMBL6823743

SCHEMBL6823743

Nc1c(F)cc(Cl)c2c1CCCO2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
HTR4 Q13639 15/20 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
SCHEMBL8948549 0.87 ACHE (0.38) ACHEHTR4
SCHEMBL9222358 0.77 CA1 (0.35) HTR4
SCHEMBL10044412 0.75 HTR4 (0.45) ACHEHTR4
SCHEMBL25713434 0.73 ACHE (0.35) ACHEHTR4
SCHEMBL6825105 0.73 PDE4A (0.32)
SCHEMBL9781202 0.71 PDE4A (0.35)
SCHEMBL13862891 0.70 NOTUM (0.35) ACHEHTR4
SCHEMBL10533426 0.70 PDE4A (0.37) HTR4
SCHEMBL25717636 0.70 ACHE (0.33) ACHEHTR4
SCHEMBL14810092 0.69 HTR4 (0.54) ACHEHTR4

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
WO-2004072065-A1 NOVEL OXYGEN CONTAINING FUSED CYCLIC DERIVATIVES AND HERBIDICAL, DESICCANT AND DEFOLIATE COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-08-26 WO disclosed
US-20040157738-A1 Novel oxygen containing fused cyclic derivatives and herbicidal, desiccant and defoliate compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2004-08-12 US disclosed
US-5053071-A For cereal crops E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-01 US disclosed
US-4948418-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES; WEED CONTROL, RICE, WHEAT, BARLEY, CORN, SOYBEANS, BEETS AND COTTON E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed
US-4881967-A Heterocyclic 2,3-dihydrobenzofuran herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-21 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-20040157738-A1 Novel oxygen containing fused cyclic derivatives and herbicidal, desiccant and defoliate compositions containing them DDT, CBR3, DUOX2 ACHE 1495/4885HTR4 4190/4885

“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.