SCHEMBL13019153

SCHEMBL13019153

CCCCCCCCOC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
ACHE P22303 12/20 0.53
TDP1 Q9NUW8 1/20 0.50
NAAA Q02083 1/20 0.49
DGKA P23743 1/20 0.49
HTR2C P28335 1/20 0.48
EPHX1 P07099 1/20 0.46

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
SCHEMBL12999572 0.94 CA12 (0.51) CA12CA1CA2CA9ACHE
SCHEMBL25181487 0.92 CA12 (0.59) CA12CA1CA2CA9ACHE
SCHEMBL31284031 0.92 CA12 (0.59) CA12CA1CA2CA9ACHE
SCHEMBL5267079 0.88 DGKA (0.57) CA12CA1CA2CA9ACHE
SCHEMBL20589930 0.88 CA12 (0.59) CA12CA1CA2CA9ACHE
SCHEMBL31065300 0.88 CA12 (0.55) CA12CA1CA2CA9ACHE
SCHEMBL12999531 0.88 TDP1 (0.47) CA12CA1CA2CA9ACHE
SCHEMBL15613905 0.87 CA12 (0.54) CA12CA1CA2CA9ACHE
SCHEMBL5265859 0.86 NAAA (0.53) CA12CA1CA2CA9ACHE
SCHEMBL34462671 0.86 CA12 (0.43) CA12CA1CA2CA9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842626-B2 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-30 US disclosed
US-7842626-B2 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-30 US disclosed
US-20080113172-A1 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 US disclosed
US-20080113172-A1 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 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-20080113172-A1 Partially fluorinated compositions and surface active agents FLNB, FLNA, FSCN1 CA12 3878/4885CA1 3299/4885CA2 4039/4885

“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.