SCHEMBL12243267

SCHEMBL12243267

COC(=O)c1ccc(C(=O)CC(=O)c2ccc(OCCC(C)C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
MAPK1 P28482 1/20 0.63
RAB9A P51151 3/20 0.59
TSHR P16473 2/20 0.59
ALDH1A1 P00352 2/20 0.59
THRB P10828 1/20 0.59
HSD17B10 Q99714 1/20 0.59
EPHX2 P34913 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
RARB P10826 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL12694298 0.94 MAPT (0.74) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL2363449 0.93 MAPT (0.64) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL2363105 0.91 MAPT (0.57) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL13287468 0.87 MAPK1 (0.85) MAPK1TSHRALDH1A1THRBHSD17B10
SCHEMBL10334158 0.84 MAPT (0.68) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL10334311 0.84 MAPT (0.68) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL2350431 0.83 MAPT (0.72) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL29974918 0.83 MAPT (0.62) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL9642909 0.81 MAPK1 (0.71) MAPTMAPK1RAB9ATSHRALDH1A1
SCHEMBL2350770 0.81 MAPT (0.68) MAPTRAB9ATSHRTHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 MAPT 4432/4885MAPK1 3350/4885RAB9A 2480/4885

“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.