SCHEMBL6900849

SCHEMBL6900849

CC(C)(C)OC(=O)N[C@H]1c2cc(Cl)ccc2OC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
KDM4D Q6B0I6 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL6899464 0.83 EPHX2 (0.43) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL29854574 0.77 GAA (0.39) KDM4DSIRT2SIRT1NFKB1NFKB2
SCHEMBL1562606 0.73 RIPK1 (0.49)
SCHEMBL1562605 0.73 RIPK1 (0.49)
SCHEMBL1561668 0.72 GAA (0.50) KDM4DSIRT2SIRT1GAAEPHX2
SCHEMBL1561671 0.72 GAA (0.50) KDM4DSIRT2SIRT1GAAEPHX2
SCHEMBL31075203 0.72 KMT2A (0.46) KDM4DSIRT2SIRT1NFKB1NFKB2
SCHEMBL9220504 0.71 SIRT2 (0.45) SIRT2SIRT1
SCHEMBL9220493 0.71 SIRT2 (0.45) SIRT2SIRT1
SCHEMBL9220485 0.71 SIRT2 (0.45) SIRT2SIRT1

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
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 HCRTR2 3548/4885KDM4D 966/4885SIRT2 3198/4885

“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.