SCHEMBL13859720

SCHEMBL13859720

CN(C)CCCNS(=O)(=O)CCC(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL14615230 0.91 ALOX15 (0.30) ALOX15
SCHEMBL4316114 0.91 CA12 (0.35) HDAC4HDAC6CA12CA2CA9
SCHEMBL13859734 0.89 CA12 (0.33) HDAC4HDAC6CA12CA2CA9
SCHEMBL774346 0.87 CA12 (0.34) HDAC4HDAC6CA12CA2CA9
SCHEMBL773837 0.84 CA12 (0.39) HDAC4HDAC6CA12CA2CA9
SCHEMBL774368 0.83 CA12 (0.36) HDAC4HDAC6CA12CA2CA9
SCHEMBL799062 0.83 HDAC4 (0.32) HDAC4HDAC6CA12CA2CA9
SCHEMBL13859718 0.83
SCHEMBL772715 0.83 CA12 (0.38) HDAC4HDAC6CA12CA2CA9
SCHEMBL13859725 0.81 CA12 (0.33) HDAC4HDAC6CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
US-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers ASEPSIS, INC. 2009-05-28 US disclosed
WO-2007016359-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2007-02-08 WO 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-20090137773-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Forming Foams, and Foam Stabilizers RFC3, RFC2, RFC4 HDAC4 4096/4885HDAC6 4448/4885CA12 2236/4885

“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.