SCHEMBL6076448

SCHEMBL6076448

CCOC(=O)C(O)CC1(c2cccc3c2OCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.39
EED O75530 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6077265 0.80 MGAM (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL6076099 0.71 ALDH1A1 (0.38) MGAMAMY1AGAASIMGAM2
SCHEMBL341128 0.69 MGAM (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL30583856 0.69 MGAM (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL6076287 0.67 ALDH1A1 (0.37) MGAMAMY1AGAASIMGAM2
SCHEMBL9160488 0.66 MTNR1A (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL3103837 0.65 MAOB (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL3103840 0.65 MAOB (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL22886786 0.65 MGAM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL27678948 0.64 MGAM (0.46) MGAMAMY1AGAASIMGAM2

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-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES MGAM 2064/4885AMY1A 234/4885GAA 1620/4885

“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.