SCHEMBL6076103

SCHEMBL6076103

O=C(O)C(=O)CC1CC1c1cccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
DRD2 P14416 16/20 0.39
HTR2A P28223 15/20 0.39
DRD3 P35462 15/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL6077269 0.83 MGAM (0.55) MGAMAMY1AGAASIMGAM2
SCHEMBL6076290 0.83 DRD2 (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL6679348 0.77 HTR2C (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL6679351 0.77 HTR2C (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL6676704 0.76 MTNR1A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL6676706 0.76 MTNR1A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL8485225 0.75 ABCG2 (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL6678551 0.74 MTNR1B (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL6678547 0.74 MTNR1B (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL8488787 0.74 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 4 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
EP-1572671-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2005-09-14 EP disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO 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.