SCHEMBL387496

SCHEMBL387496

Cc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc3ccc(C#CCOc4ccc(C)c(C)c4)o3)o2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL386413 0.89 GRM5 (0.34) MAPTNPC1RAB9APOLBMAPK1
SCHEMBL383552 0.87 RAB9A (0.39) MAPTNPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL5530328 0.87 RAB9A (0.39) MAPTNPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL386612 0.87 S1PR1 (0.42) MAPTNPC1RAB9AHSP90AA1POLB
SCHEMBL385726 0.87 S1PR1 (0.42) MAPTNPC1RAB9AHSP90AA1POLB
SCHEMBL387320 0.87 MEN1 (0.32) NPC1RAB9APOLBALDH1A1MEN1
Oxalic Acid SCHEMBL387495 0.87 RAB9A (0.40) MAPTNPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL387198 0.87 ALDH1A1 (0.37) NPC1RAB9ATDP1ALDH1A1MEN1
SCHEMBL383973 0.84 S1PR4 (0.41) MAPTNPC1RAB9AHSP90AA1L3MBTL1
SCHEMBL386037 0.84 KDM4E (0.40) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT MAPT 3715/4885NPC1 4382/4885RAB9A 1886/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 MAPT 3338/4885NPC1 1364/4885RAB9A 2460/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB MAPT 2117/4885NPC1 1745/4885RAB9A 2503/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 MAPT 1819/4885NPC1 4117/4885RAB9A 1873/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A MAPT 3634/4885NPC1 4240/4885RAB9A 919/4885

“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.