SCHEMBL6081987

SCHEMBL6081987

CCOC(=O)CC(=O)CCC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1461073 0.83 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1224654 0.83 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2007604 0.81 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8780916 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11246615 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12561239 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2593140 0.79 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21832 0.79 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.78 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17433596 0.77 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R GAA 359/4885MGAM 634/4885SI 90/4885

“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.