SCHEMBL12435699

SCHEMBL12435699

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.85
ALDH1A1 P00352 1/20 0.85
ACER2 Q5QJU3 1/20 0.85
ASAH2 Q9NR71 1/20 0.60
SOAT2 O75908 1/20 0.60
SOAT1 P35610 1/20 0.60
FAAH O00519 6/20 0.57
EPHX2 P34913 2/20 0.57
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
UGCG Q16739 1/20 0.55
CERT1 Q9Y5P4 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53

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
SCHEMBL12435700 0.98 ALDH1A1 (0.81) ASAH1ALDH1A1ACER2ASAH2SOAT2
SCHEMBL4239949 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL8340882 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL8341673 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL13930314 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL13930310 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL360960 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL13930311 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL4234738 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2
SCHEMBL611869 0.92 ASAH1 (1.00) ASAH1ALDH1A1ACER2FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
WO-2009109973-A2 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2009-09-11 WO 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 (2 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 ASAH1 410/4885ALDH1A1 939/4885ACER2 879/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC ASAH1 305/4885ALDH1A1 933/4885ACER2 481/4885

“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.