SCHEMBL532146

SCHEMBL532146

CCCC[n+]1cn(C)cc1CN

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL329222 0.76 CA1 (0.36) CA1CA2
SCHEMBL17731642 0.71 TSHR (0.33) CA2
SCHEMBL413172 0.69 CA1 (0.44) CA1CA2
SCHEMBL17731717 0.67 CA12 (0.34) CA1CA2
SCHEMBL17731869 0.67 CA2 (0.36) CA1CA2
Iodide SCHEMBL19548398 0.67 CA12 (0.33) CA1CA2
Hydrochloric Acid SCHEMBL30980152 0.66 MEN1 (0.30)
SCHEMBL28399994 0.65 NPC1 (0.39) CA1CA2
SCHEMBL17255108 0.64 CA1 (0.39) CA1CA2
Hydrochloric Acid SCHEMBL30980124 0.63 KCNH2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CA1 335/4885CA2 995/4885

“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.