SCHEMBL71138

SCHEMBL71138

CCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CASP2 P42575 1/20 0.38
▸ GLP1R P43220 8/20 0.38
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL13805651 0.89 MEN1 (0.45) TSHRCASP2GLP1R
SCHEMBL14683527 0.86 GLP1R (0.44) EPHX2TSHRGLP1RRAB9A
SCHEMBL14683467 0.84 GLP1R (0.44) EPHX2TSHRGLP1R
SCHEMBL15357462 0.82 NAMPT (0.44) TSHRCASP2GLP1RRAB9A
SCHEMBL14683581 0.82 ALDH1A1 (0.40) EPHX2TSHRGLP1RRAB9A
SCHEMBL13805652 0.82 GLP1R (0.49) TSHRCASP2GLP1R
SCHEMBL13805654 0.81 GLP1R (0.53) TSHRCASP2GLP1R
SCHEMBL14683575 0.81 FAAH (0.43) EPHX2TSHRCASP2GLP1R
SCHEMBL13147071 0.80 GLP1R (0.55) GLP1R
SCHEMBL13147048 0.80 GLP1R (0.55) GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 — — US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 — — 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-20090156478-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR EPHX2 4514/4885SMN1; SMN2 2903/4885TSHR 525/4885

“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.

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