SCHEMBL5752818

SCHEMBL5752818

O=C(CC(=O)c1ccc(Oc2ccccn2)cc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
OPRK1 P41145 4/20 0.45
ADAMTS4 O75173 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
MAPK14 Q16539 1/20 0.43
PKM P14618 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
LOX P28300 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5754436 0.85 KMT2A (0.58) OPRM1OPRD1OPRK1ADAMTS4SMN1; SMN2
SCHEMBL28488994 0.84 ERCC5 (0.60) SMN1; SMN2ERCC5FEN1NR4A1NR4A2
SCHEMBL5750062 0.80 LMNA (0.52) SMN1; SMN2ERCC5FEN1MAPK14ALDH1A1
SCHEMBL19624442 0.79 ERCC5 (0.47) OPRM1OPRD1OPRK1ADAMTS4ERCC5
SCHEMBL2645447 0.78 ALDH1A1 (0.61) SMN1; SMN2ERCC5FEN1ALDH1A1MAPK1
SCHEMBL5370096 0.77 ALDH1A1 (0.56) SMN1; SMN2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL11814582 0.77 L3MBTL1 (0.54) IP6K1IP6K3IP6K2NR4A2LOX
SCHEMBL18355617 0.76 GSK3B (0.50) ERCC5FEN1IP6K1IP6K3IP6K2
SCHEMBL30609674 0.76 PKM (0.53) SMN1; SMN2PKMALDH1A1MAPK1L3MBTL1
SCHEMBL19533568 0.76 PTGS2 (0.48) ADAMTS4SMN1; SMN2ERCC5FEN1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP OPRM1 2976/4885OPRD1 1598/4885OPRK1 2041/4885

“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.