SCHEMBL12435702

SCHEMBL12435702

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.81
EPHX2 P34913 5/20 0.67
FAAH O00519 3/20 0.67
CNR1 P21554 3/20 0.67
CNR2 P34972 2/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SOAT2 O75908 1/20 0.58
SOAT1 P35610 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TRPV1 Q8NER1 1/20 0.56

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
SCHEMBL8335749 0.90 ASAH1 (1.00) ASAH1EPHX2FAAHALDH1A1
SCHEMBL17343770 0.85 ASAH1 (0.89) ASAH1EPHX2MEN1KMT2AKDM4E
SCHEMBL8776663 0.84 ASAH1 (0.87) ASAH1EPHX2FAAHALDH1A1
SCHEMBL15606990 0.83 ASAH1 (0.60) ASAH1EPHX2FAAHCNR1CNR2
SCHEMBL19269417 0.82 MEN1 (0.69) CNR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2952168 0.81 MEN1 (0.68) CNR1MEN1KMT2AKDM4EALDH1A1
Malinamide SCHEMBL20354 0.81 EPHX2 (0.62) ASAH1EPHX2FAAHCNR1CNR2
Melinamide SCHEMBL1650618 0.81 EPHX2 (0.62) ASAH1EPHX2FAAHCNR1CNR2
SCHEMBL3681653 0.80 EPHX2 (1.00) EPHX2FAAHCNR1CNR2TRPV1
SCHEMBL22558552 0.80 EPHX2 (1.00) EPHX2FAAHCNR1CNR2TRPV1

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 410/4885EPHX2 659/4885FAAH 116/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC ASAH1 305/4885EPHX2 598/4885FAAH 97/4885

“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.