SCHEMBL5456436

SCHEMBL5456436

CCOC(=O)N(OC(=O)CCCc1ccccc1)C(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALOX5 P09917 1/20 0.41
EPHX2 P34913 3/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
REN P00797 2/20 0.35

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
SCHEMBL5458039 0.95 L3MBTL1 (0.44) L3MBTL1LMNAMAPTTP53TSHR
SCHEMBL5467951 0.93 EPHX2 (0.38) L3MBTL1ALOX5EPHX2LMNAEPHX1
SCHEMBL5461306 0.92 EPHX2 (0.37) L3MBTL1ALOX5EPHX2MAPTEPHX1
SCHEMBL5457958 0.91 EPHX2 (0.38) L3MBTL1ALOX5EPHX2EPHX1
SCHEMBL5456461 0.89 L3MBTL1 (0.45) L3MBTL1EPHX2LMNAMAPTTP53
SCHEMBL5455660 0.88 L3MBTL1 (0.39) L3MBTL1EPHX2LMNAMAPTEPHX1
SCHEMBL5324822 0.88 L3MBTL1 (0.41) L3MBTL1EPHX2LMNATP53TSHR
SCHEMBL5452080 0.86 L3MBTL1 (0.39) L3MBTL1EPHX2
SCHEMBL5329757 0.83 ALOX5 (0.47) L3MBTL1ALOX5LMNAPOLBALDH1A1
SCHEMBL5458827 0.82 L3MBTL1 (0.39) L3MBTL1EPHX2LMNAMAPTTP53

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-20070281996-A1 Creatine prodrugs, compositions and uses thereof XENOPORT, INC. 2007-12-06 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-20070281996-A1 Creatine prodrugs, compositions and uses thereof CKMT1A; CKMT1B, PYGM, TNNI3 L3MBTL1 2963/4885ALOX5 3349/4885EPHX2 2614/4885

“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.