SCHEMBL1498064

SCHEMBL1498064

Cc1c(C)c(C(=O)[O-])c(C)c(C)c1C(=O)[O-].[Fe+2]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA4 P22748 4/20 0.36
CA2 P00918 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1498066 0.93 CA1 (0.36) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6918110 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6916836 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
Zinc Ion SCHEMBL6916331 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6916627 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6909447 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6917138 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6909437 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6913533 0.90 CA1 (0.35) CA1CA4CA2CYP1A2CYP3A4
SCHEMBL6916004 0.75 CA1 (0.39) CA1CA4CA2CYP3A4

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-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST Centre National De La Recherche Scientifique - CNR S (FR) 2011-03-03 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-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST MITF, SLCO2B1, SLCO2A1 CA1 90/4885CA4 6/4885CA2 26/4885

“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.