SCHEMBL13997404

SCHEMBL13997404

CC(C)(C)OC(=O)NCCOCC#Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 4/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTPN11 Q06124 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL14045455 0.98 HTT (0.43) HTTKDM4EHSD17B10LMNAMAPK1
SCHEMBL13718180 0.82 HTT (0.47) HTTKDM4EHSD17B10LMNA
SCHEMBL3816692 0.80 KDM4E (0.47) HTTKDM4EHSD17B10LMNAMAPK1
SCHEMBL14048261 0.79 HTT (0.47) HTTKDM4EHSD17B10POLBTDP1
SCHEMBL3816951 0.79 KDM4E (0.46) HTTKDM4EHSD17B10LMNAMAPK1
SCHEMBL3816406 0.78 ALDH1A1 (0.50) HTTKDM4EHSD17B10POLBMEN1
SCHEMBL4164845 0.77 GABRA1 (0.55) HSD17B10L3MBTL1MEN1KMT2APTPN11
SCHEMBL3815499 0.73 LMNA (0.50) KDM4EHSD17B10LMNAMAPK1POLB
SCHEMBL3291116 0.72 LMNA (0.37) KDM4EHSD17B10LMNAMEN1KMT2A
SCHEMBL4129107 0.71 KDM4E (0.49) KDM4EHSD17B10LMNAPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTAR (HR) 2008-12-18 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 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 (2 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 HTT 3684/4885KDM4E 2612/4885HSD17B10 264/4885
US-20080312167-A1 4'' Amino Linked Macrolides Useful for the Treatment of Microbial Infections IL4I1, IL4, TLR5 HTT 3585/4885KDM4E 1535/4885HSD17B10 1220/4885

“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.