SCHEMBL387914

SCHEMBL387914

[C]#CC(CCCCCC)SC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
SMPD1 P17405 3/20 0.34
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL385937 0.98 OPRM1 (0.36) LMNADNM1TSHRTHRBOPRM1
SCHEMBL387188 0.91
SCHEMBL384452 0.81
SCHEMBL387791 0.78 OPRM1 (0.34) LMNADNM1TSHROPRM1SMPD1
SCHEMBL11872475 0.78 LMNA (0.41) LMNADNM1GPR84FDPSFFAR1
SCHEMBL22444480 0.74 TSHR (0.44) LMNADNM1TSHRTHRBOPRM1
SCHEMBL22444439 0.74 TSHR (0.44) LMNADNM1TSHRTHRBOPRM1
SCHEMBL22444461 0.74 TSHR (0.44) LMNADNM1TSHRTHRBOPRM1
SCHEMBL28647831 0.74 TSHR (0.44) LMNADNM1TSHRTHRBOPRM1
SCHEMBL22444548 0.71 OPRM1 (0.43) LMNADNM1TSHRTHRBOPRM1

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
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 LMNA 3703/4885DNM1 4071/4885TSHR 1187/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT LMNA 4143/4885DNM1 3120/4885TSHR 1254/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LMNA 3703/4885DNM1 4071/4885TSHR 1187/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 LMNA 3060/4885DNM1 1688/4885TSHR 241/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB LMNA 1187/4885DNM1 1965/4885TSHR 238/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 LMNA 2699/4885DNM1 3378/4885TSHR 316/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A LMNA 1759/4885DNM1 3199/4885TSHR 744/4885

“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.