SCHEMBL386637

SCHEMBL386637

Oc1ccccc1CCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CEL P19835 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
HSPA5 P11021 1/20 0.43
DAO P14920 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MPO P05164 2/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL28171137 0.90 TAAR1 (0.52) HRH3TAAR1HSPA5MPO
SCHEMBL6403702 0.87 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL1733071 0.86 CEL (0.51) RAB9ACELL3MBTL1BCHE
SCHEMBL6402700 0.85 HRH3 (0.41) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL386760 0.81 HSPA5 (0.46) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL18726535 0.81 HSPA5 (0.46) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL1732699 0.79 CEL (0.46) RAB9AALDH1A1CELL3MBTL1BCHE
SCHEMBL31545663 0.79 NPC1 (0.46) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL6397923 0.79 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1HPGDNFKB1
SCHEMBL23004901 0.78 CA12 (0.61) RAB9ANPC1ALDH1A1HPGDNFKB1

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 RAB9A 1886/4885NPC1 4382/4885ALDH1A1 945/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 RAB9A 2460/4885NPC1 1364/4885ALDH1A1 2821/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB RAB9A 2503/4885NPC1 1745/4885ALDH1A1 582/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 RAB9A 1873/4885NPC1 4117/4885ALDH1A1 1443/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A RAB9A 919/4885NPC1 4240/4885ALDH1A1 898/4885

“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.