SCHEMBL4331121

SCHEMBL4331121

NC(=O)C(N)(CCc1ccccc1)C(=O)CCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
HPGD P15428 3/20 0.41
EPHX1 P07099 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL3450460 0.76 EPHX2 (0.52) EPHX2ALDH1A1MEN1KMT2ATDP1
SCHEMBL4331105 0.75 EPHX2 (0.46) EPHX2GRM2GRM3ALDH1A1MEN1
Phenyl Propionic Acid SCHEMBL7042956 0.74 KEAP1 (0.63) EPHX2ALDH1A1SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL4331112 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1RAB9A
SCHEMBL60979 0.71 CTSS (0.54) EPHX2
Phenylbutanoic Acid SCHEMBL10636202 0.71 HDAC3 (0.64) EPHX2MEN1KMT2ATDP1RAB9A
SCHEMBL7042959 0.71 KLK7 (0.52) EPHX2ALDH1A1MEN1KMT2ATDP1
SCHEMBL4278250 0.70 L3MBTL1 (0.45) EPHX2GRM2GRM3ALDH1A1MEN1
Methane SCHEMBL28304943 0.69 CTSS (0.53) EPHX2
SCHEMBL3456023 0.69 L3MBTL1 (0.66) EPHX2MEN1KMT2ARAB9AHPGD

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 882/4885GRM2 1357/4885GRM3 661/4885

“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.