SCHEMBL9901520

SCHEMBL9901520

NC(=O)OCCCCCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
GAA P10253 1/20 0.41
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
TSHR P16473 1/20 0.34
GLP1R P43220 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
EPHX2 P34913 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
SCHEMBL16146537 0.86 TSHR (0.33) FAAHGAACA12CA1CA2
SCHEMBL12474155 0.86 FAAH (0.46) FAAHGAACNR1CNR2CA12
SCHEMBL31251083 0.86 FAAH (0.46) FAAHGAACNR1CNR2CA12
SCHEMBL8524743 0.86 FAAH (0.46) FAAHGAACNR1CNR2CA12
SCHEMBL21385102 0.86 FAAH (0.36) FAAHGAACA12CA1CA2
SCHEMBL18920948 0.85 FAAH (0.57) FAAHGAACNR1CNR2TSHR
SCHEMBL23676429 0.83 ACHE (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL18772401 0.83 FAAH (0.67) FAAHCNR1CNR2GLP1RHPGD
SCHEMBL9901593 0.82 FAAH (0.49) FAAHGAACNR1CNR2TSHR
SCHEMBL18594579 0.81 FAAH (0.59) FAAHCNR1CNR2GLP1RHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2018-12-13 US disclosed
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2018-12-04 US disclosed
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-9632089-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2017-04-25 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-9500653-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2016-11-22 US disclosed
US-20140302523-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same YALE UNIVERSITY (US) 2014-10-09 US disclosed
EP-2649099-A2 SMALL-MOLECULE HYDROPHOBIC TAGGING OF FUSION PROTEINS AND INDUCED DEGRADATION OF SAME Yale University (US) 2013-10-16 EP disclosed
WO-2012078559-A2 SMALL-MOLECULE HYDROPHOBIC TAGGING OF FUSION PROTEINS AND INDUCED DEGRADATION OF SAME YALE UNIVERSITY (US) 2012-06-14 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 (4 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-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 FAAH 2500/4885GAA 538/4885CNR1 3913/4885
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same HSP90B1, LAMP2, PSMG3 FAAH 2500/4885GAA 538/4885CNR1 3913/4885
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 FAAH 2570/4885GAA 532/4885CNR1 3950/4885
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 FAAH 2500/4885GAA 538/4885CNR1 3913/4885

“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.