SCHEMBL18239182

SCHEMBL18239182

CCCCOCCNC(=N)NC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
EPHX2 P34913 2/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 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
SCHEMBL4104968 0.92 TSHR (0.43) TSHREPHX2MAPTHSD17B10MEN1
SCHEMBL4093922 0.87 MAPT (0.42) TSHREPHX2MAPTHSD17B10MEN1
SCHEMBL18239183 0.86 TSHR (0.45) TSHREPHX2MAPTHSD17B10MEN1
SCHEMBL4093599 0.85 MEN1 (0.46) EPHX2MAPTMEN1THRBHTT
SCHEMBL4103946 0.85 EPHX2 (0.36) TSHREPHX2MAPTHSD17B10RECQL
SCHEMBL18239181 0.83 TSHR (0.42) TSHREPHX2MAPTHSD17B10MEN1
SCHEMBL16562990 0.83 TSHR (0.52) TSHREPHX2MAPTHSD17B10MEN1
SCHEMBL4093404 0.82 MEN1 (0.37) TSHREPHX2MEN1THRBKMT2A
SCHEMBL4095312 0.82 MEN1 (0.37) TSHREPHX2MEN1THRBKMT2A
SCHEMBL4111859 0.82 ALDH1A1 (0.37) TSHREPHX2MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 US 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 (1 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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 TSHR 1379/4885EPHX2 865/4885MAPT 3893/4885

“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.