SCHEMBL386377

SCHEMBL386377

C#CCOc1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
MAOB P27338 6/20 0.51
MAOA P21397 5/20 0.51
GSTP1 P09211 1/20 0.49
CA12 O43570 6/20 0.46
CA4 P22748 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 2/20 0.46
ACHE P22303 1/20 0.45
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL15985610 0.83 KDM4E (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL21718941 0.83 KDM4E (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL19940357 0.82 KDM4E (0.51) KDM4EALDH1A1GLAGAATSHR
SCHEMBL21718983 0.80 KDM4E (0.47) KDM4EALDH1A1GLAGAATSHR
SCHEMBL20832265 0.80 KDM4E (0.47) KDM4EALDH1A1GLAGAATSHR
SCHEMBL20832263 0.80 GAA (0.47) KDM4EALDH1A1GLAGAATSHR
SCHEMBL18560985 0.80 L3MBTL1 (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL5252502 0.80 TDP1 (0.45) DRD2DRD4DRD3ESR1TP53
SCHEMBL12314564 0.80 DRD2 (0.42) DRD2DRD4DRD3ESR1TP53
SCHEMBL20835030 0.79 GAA (0.49) KDM4EALDH1A1GLAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
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
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

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 KDM4E 675/4885ALDH1A1 129/4885GLA 3387/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT KDM4E 2134/4885ALDH1A1 945/4885GLA 3766/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KDM4E 675/4885ALDH1A1 129/4885GLA 3387/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885ALDH1A1 2821/4885GLA 2691/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885ALDH1A1 582/4885GLA 3989/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885ALDH1A1 1443/4885GLA 3763/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885ALDH1A1 898/4885GLA 3969/4885

“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.