SCHEMBL386594

SCHEMBL386594

[C]1=CCc2ccc(C3CCCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
ACMSD Q8TDX5 2/20 0.38
BACE1 P56817 1/20 0.37
KMO O15229 1/20 0.36
PDK2 Q15119 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HTR1D P28221 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTT P42858 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7938786 0.68 EPHX2 (0.53) EPHX2ACMSDBACE1KMOPDK2
SCHEMBL10879536 0.68 EPHX2 (0.49) EPHX2ACMSDBACE1KMOPDK2
SCHEMBL9746450 0.68 EPHX2 (0.49) EPHX2ACMSDBACE1KMOPDK2
SCHEMBL28584923 0.67 HDAC8 (0.52) ACMSDKMT2ATDP1HSP90AA1GAA
SCHEMBL42782 0.67 HDAC8 (0.52) ACMSDKMT2ATDP1HSP90AA1GAA
SCHEMBL6275125 0.67 HDAC8 (0.52) ACMSDKMT2ATDP1HSP90AA1GAA
SCHEMBL15260520 0.67 HDAC8 (0.52) ACMSDKMT2ATDP1HSP90AA1GAA
SCHEMBL27824761 0.67 EPHX2 (0.41) EPHX2ACMSDBACE1KMOPDK2
SCHEMBL9157501 0.66 BACE1 (0.61) EPHX2ACMSDBACE1KMOKMT2A
SCHEMBL386586 0.66 CYP1A2 (0.33) TDP1SMN1; 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 17 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
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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 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
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A EPHX2 2897/4885ACMSD 419/4885BACE1 3903/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT EPHX2 2818/4885ACMSD 749/4885BACE1 4285/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A EPHX2 2897/4885ACMSD 419/4885BACE1 3903/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 EPHX2 669/4885ACMSD 299/4885BACE1 2762/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB EPHX2 1388/4885ACMSD 159/4885BACE1 2373/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 EPHX2 1718/4885ACMSD 735/4885BACE1 2726/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A EPHX2 1628/4885ACMSD 290/4885BACE1 4480/4885

“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.