SCHEMBL3744798

SCHEMBL3744798

CCCCCCC(=O)CC(=O)N(C)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
ACHE P22303 2/20 0.44
POLQ O75417 1/20 0.41
EPHX2 P34913 2/20 0.41
BCHE P06276 1/20 0.41
ESR1 P03372 1/20 0.39
CDC25B P30305 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL3741148 1.00 HDAC6 (0.44) HDAC6ACHEPOLQEPHX2BCHE
SCHEMBL13041505 0.84 POLQ (0.47) HDAC6ACHEPOLQESR1THRB
SCHEMBL3744823 0.83 ALDH1A1 (0.51) ACHEEPHX2BCHEALDH1A1
SCHEMBL3731228 0.83 ALDH1A1 (0.51) ACHEEPHX2BCHEALDH1A1
SCHEMBL3399062 0.82 POLQ (0.48) HDAC6ACHEPOLQBCHEESR1
SCHEMBL3739641 0.81 POLB (0.42) EPHX2ALDH1A1
SCHEMBL3748980 0.81 POLB (0.42) EPHX2ALDH1A1
SCHEMBL4137692 0.80 EPHX2 (0.52) HDAC6EPHX2ALDH1A1
SCHEMBL13041529 0.79 POLQ (0.50) HDAC6ACHEPOLQBCHEESR1
SCHEMBL3735946 0.79 KMT2A (0.46) CDC25BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HDAC6 4007/4885ACHE 4187/4885POLQ 4075/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HDAC6 4007/4885ACHE 4187/4885POLQ 4075/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 HDAC6 1123/4885ACHE 4677/4885POLQ 3971/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH HDAC6 1038/4885ACHE 4612/4885POLQ 2305/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HDAC6 4007/4885ACHE 4187/4885POLQ 4075/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 HDAC6 1123/4885ACHE 4677/4885POLQ 3971/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HDAC6 4007/4885ACHE 4187/4885POLQ 4075/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 HDAC6 1123/4885ACHE 4677/4885POLQ 3971/4885

“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.