SCHEMBL3739685

SCHEMBL3739685

CCCCCCCCCC(=O)CC(=O)N1CCCCC1CO

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GALR3 O60755 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3736442 0.96 POLB (0.49) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL4124880 0.89 MEN1 (0.57) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL2214406 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL12435714 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL2214414 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL2220837 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL12435712 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL3739385 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL2220842 0.84 L3MBTL1 (0.54) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL3744818 0.83 L3MBTL1 (0.45) MEN1KMT2ATP53CYP1A2CYP2D6

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-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-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 MEN1 2782/4885KMT2A 4236/4885GALR3 163/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MEN1 2782/4885KMT2A 4236/4885GALR3 163/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MEN1 2504/4885KMT2A 2108/4885GALR3 1416/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH MEN1 2757/4885KMT2A 2689/4885GALR3 130/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MEN1 2782/4885KMT2A 4236/4885GALR3 163/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 MEN1 2504/4885KMT2A 2108/4885GALR3 1416/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MEN1 2782/4885KMT2A 4236/4885GALR3 163/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MEN1 2504/4885KMT2A 2108/4885GALR3 1416/4885

“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.