SCHEMBL1668757

SCHEMBL1668757

CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.59
EPHX2 P34913 7/20 0.59
HDAC1 Q13547 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK14 Q16539 1/20 0.47

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
SCHEMBL11904717 0.93 ALDH1A1 (0.52) NR1H4EPHX2HDAC1L3MBTL1LMNA
SCHEMBL1671247 0.90 HDAC1 (0.54) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL1668544 0.88 NR1H4 (0.76) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL1672854 0.84 HDAC1 (0.53) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL13967503 0.84 LMNA (0.60) NR1H4EPHX2L3MBTL1MEN1KMT2A
SCHEMBL31652646 0.84 HDAC1 (0.52) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL7983921 0.83 EPHX2 (0.62) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL5736115 0.82 HDAC1 (0.60) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL1671565 0.82 NR1H4 (0.54) NR1H4EPHX2HDAC1L3MBTL1MEN1
SCHEMBL1668726 0.82 ALDH1A1 (0.54) HDAC1L3MBTL1LMNANAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS NR1H4 1406/4885EPHX2 3905/4885HDAC1 3507/4885

“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.