SCHEMBL12206882

SCHEMBL12206882

C=C1C=C(C)c2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.43
▸ CA2 P00918 18/20 0.43
▸ CA4 P22748 8/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15499792 0.70 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL12153724 0.67 TDP1 (0.65) CA1CA2CA4CA12CA9
Caldiamide SCHEMBL1114868 0.67 TDP1 (0.65) CA1CA2CA4CA12CA9
SCHEMBL18811949 0.67 TDP1 (0.65) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.67 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL15335281 0.66 CA1 (0.88) CA1CA2CA4CA12CA9
Caldiamide SCHEMBL27165225 0.66 TDP1 (0.62) CA1CA2CA4CA12CA9
Water SCHEMBL8533754 0.66 TDP1 (0.62) CA1CA2CA4CA12CA9
SCHEMBL9159118 0.66 TDP1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL791382 0.66 TDP1 (0.64) CA1CA2CA4CA12CA9

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-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND SLC40A1, SLCO1B1, SLCO2A1 CA1 1579/4885CA2 1123/4885CA4 1672/4885

“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.

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