SCHEMBL4331118

SCHEMBL4331118

CC(C(=O)N(N)C(=O)CCCc1ccccc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
ALOX5 P09917 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
EPHX1 P07099 2/20 0.44
SLC18A3 Q16572 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL11217987 0.73 L3MBTL1 (0.45) EPHX2L3MBTL1EPHX1SLC18A3MEN1
SCHEMBL4278254 0.71 L3MBTL1 (0.60) EPHX2ALOX5L3MBTL1EPHX1SLC18A3
SCHEMBL7539729 0.71 EPHX2 (0.54) EPHX2L3MBTL1EPHX1NPC1RAB9A
SCHEMBL9836505 0.71 L3MBTL1 (0.59) EPHX2ALOX5L3MBTL1EPHX1MEN1
SCHEMBL19383170 0.69 ALOX5 (0.67) ALOX5NPC1RAB9AHDAC3HDAC4
SCHEMBL17291635 0.68 EPHX2 (0.46) EPHX2L3MBTL1EPHX1NPC1RAB9A
SCHEMBL4331105 0.68 EPHX2 (0.46) EPHX2L3MBTL1EPHX1MEN1NPC1
SCHEMBL8493143 0.67 ALOX5 (0.69) ALOX5NPC1RAB9AKMT2AHDAC3
SCHEMBL25597428 0.67 CYP3A4 (0.58) L3MBTL1EPHX1MEN1NPC1RAB9A
SCHEMBL5652285 0.67 L3MBTL1 (0.52) EPHX2L3MBTL1EPHX1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 EPHX2 882/4885ALOX5 726/4885L3MBTL1 3230/4885

“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.