SCHEMBL1274080

SCHEMBL1274080

NCCCCNCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
CA5A P35218 4/20 0.43
CA5B Q9Y2D0 4/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 3/20 0.43
F13A1 P00488 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
THPO P40225 2/20 0.43
CA1 P00915 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL1484427 0.97 HDAC6 (0.56) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL1274124 0.95 HDAC6 (0.47) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL1273482 0.95 HDAC6 (0.47) HDAC6CA5ACA5BCA12CA2
SCHEMBL6254320 0.93 HDAC6 (0.56) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL3298655 0.92 HDAC6 (0.51) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL4619732 0.89 HDAC6 (0.51) HDAC6CA5ACA5BCA12CA2
SCHEMBL8777348 0.84 HDAC6 (0.43) HDAC6CA5ACA5BCA12CA2
SCHEMBL8415301 0.82 HDAC6 (0.42) HDAC6CA5ACA5BCA12CA2
SCHEMBL2128045 0.77 PAOX (0.52) CA5ACA5BCA12CA2CA4
Trifluoroacetic Acid SCHEMBL5548189 0.75 HDAC6 (0.54) HDAC6CA5ACA5BCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045027-A1 Adjuvant GLAXO GROUP LIMITED (GB) 2011-02-24 US disclosed
EP-1569694-B1 POLYAMINE CONJUGATES WITH ACIDIC RETINOIDS AND PREPARATION THEREOF PAPAIOANNOU DIONYSIOS (GR) 2009-11-25 EP disclosed
US-7517913-B2 Polyamine conjugates with acidic retinoids and preparation thereof PAPAIOANNOU DIONYSIOS 2009-04-14 US disclosed
US-20060189696-A1 Polyamine conjugates with acidic retinoids and preparation thereof PAPAIOANNOU DIONYSIOS 2006-08-24 US disclosed
EP-1569694-A1 POLYAMINE CONJUGATES WITH ACIDIC RETINOIDS AND PREPARATION THEREOF Papaioannou, Dionysios (GR) 2005-09-07 EP disclosed
WO-2004018001-A1 POLYAMINE CONJUGATES WITH ACIDIC RETINOIDS AND PREPARATION THEREOF PAPAIOANNOU DIONYSIOS (GR) 2004-03-04 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 (2 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-20110045027-A1 Adjuvant TLR3, TLR9, TLR7 HDAC6 2662/4885CA5A 3309/4885CA5B 3253/4885
US-20060189696-A1 Polyamine conjugates with acidic retinoids and preparation thereof RNASEL, RNASEH1, SNRPE HDAC6 674/4885CA5A 3307/4885CA5B 2853/4885

“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.