SCHEMBL383946

SCHEMBL383946

[CH]=C(CCCCC)NCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
AKR1B1 P15121 1/20 0.39
HSP90AA1 P07900 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL386578 0.92
SCHEMBL385770 0.77
SCHEMBL781363 0.70 FAAH (0.58) FAAHCES2CES1HSP90AA1GPR84
SCHEMBL6063045 0.70 FAAH (0.52) FAAHCES2CES1AKR1B1HSP90AA1
SCHEMBL3916058 0.70 FAAH (0.95) FAAHCES2CES1AKR1B1HSP90AA1
SCHEMBL23449135 0.70 FAAH (0.52) FAAHCES2CES1AKR1B1HSP90AA1
SCHEMBL13520923 0.70 FAAH (0.52) FAAHCES2CES1AKR1B1HSP90AA1
SCHEMBL387070 0.69
SCHEMBL4146733 0.68 FAAH (1.00) FAAHCES2CES1HSP90AA1MEN1
Hydrochloric Acid SCHEMBL9204815 0.68 FAAH (0.91) FAAHCES2CES1HSP90AA1MEN1

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 16 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
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-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 FAAH 1462/4885CES2 649/4885CES1 311/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT FAAH 3010/4885CES2 2433/4885CES1 762/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A FAAH 1462/4885CES2 649/4885CES1 311/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 FAAH 922/4885CES2 1087/4885CES1 524/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB FAAH 450/4885CES2 863/4885CES1 834/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 FAAH 486/4885CES2 2439/4885CES1 945/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A FAAH 967/4885CES2 1200/4885CES1 2087/4885

“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.