SCHEMBL387320

SCHEMBL387320

COc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc3ccc(C#CCOc4ccc(OC)c(OC)c4)o3)o2)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
FKBP1A P62942 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MELK Q14680 1/20 0.31
POLB P06746 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL387098 0.88 S1PR1 (0.41) MEN1KMT2ANPC1RAB9AMELK
Oxalic Acid SCHEMBL387319 0.87 KDM4E (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL387496 0.87 MAPT (0.40) MEN1KMT2ANPC1RAB9AFKBP1A
SCHEMBL386413 0.86 GRM5 (0.34) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL387198 0.85 ALDH1A1 (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL386197 0.85 S1PR4 (0.40) MEN1KMT2ANPC1RAB9AMELK
SCHEMBL386037 0.82 KDM4E (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL385726 0.74 S1PR1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
Oxalic Acid SCHEMBL387495 0.74 RAB9A (0.40) MEN1KMT2ANPC1RAB9AFKBP1A
SCHEMBL5530328 0.74 RAB9A (0.39) MEN1KMT2ANPC1RAB9AFKBP1A

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 10 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

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 MEN1 1065/4885KMT2A 3736/4885NPC1 4382/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 MEN1 307/4885KMT2A 2185/4885NPC1 1364/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB MEN1 1067/4885KMT2A 2919/4885NPC1 1745/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 MEN1 1225/4885KMT2A 3339/4885NPC1 4117/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A MEN1 940/4885KMT2A 1437/4885NPC1 4240/4885

“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.