SCHEMBL4934744

SCHEMBL4934744

CC(C)(C)C(=O)CNCCCOCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.43
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
PTGER1 P34995 1/20 0.35
P4HB P07237 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4134605 0.87 MRGPRX4 (0.41) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL4934741 0.76 MRGPRX4 (0.44) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL15808955 0.74 MRGPRX4 (0.53) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL4134602 0.72 L3MBTL1 (0.45) MRGPRX4ALDH1A1TP53CYP4F2CYP4A11
SCHEMBL15808806 0.72 MRGPRX4 (0.57) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL15808726 0.67 MRGPRX4 (0.45) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL1671704 0.67 PTGES (0.59)
SCHEMBL21510776 0.66 RARB (0.51) KDM4EALDH1A1TDP1
SCHEMBL15809160 0.65 MRGPRX4 (0.48) MRGPRX4KDM4EALDH1A1MAPTTP53
SCHEMBL6235212 0.65 IDO1 (0.45) NPSR1NPC1RAB9A

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-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 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-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2407/4885KDM4E 3146/4885ALDH1A1 328/4885

“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.