SCHEMBL12595488

SCHEMBL12595488

COc1cc(OC(CC(C)C)c2ccc(C(=O)NCCC(C)=O)cc2)ccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
GCG P01275 5/20 0.41
HDAC6 Q9UBN7 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1765687 0.93 GCGR (0.45) GCGRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1765401 0.93 GCGR (0.53) GCGRGCG
SCHEMBL1765609 0.82 GCGR (0.46) GCGRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1765770 0.82 GCGR (0.46) GCGRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1765664 0.82 GCGR (0.55) GCGRGCG
SCHEMBL1765409 0.81 GCGR (0.54) GCGRGCG
SCHEMBL1765339 0.81 GCGR (0.54) GCGRGCG
SCHEMBL12595568 0.80 GCGR (0.57) GCGRGCG
SCHEMBL1765916 0.80 GCGR (0.53) GCGRGCG
SCHEMBL1765755 0.80 GCGR (0.44) GCGRALDH1A1NPC1RAB9ASMN1; SMN2

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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2011-05-26 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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR GCGR 2/4885ALDH1A1 3337/4885NPC1 2178/4885

“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.