Sugi Predict

Sugi Predict / Compounds / SCHEMBL2476675

SCHEMBL2476675

SCHEMBL2476675

CCOC(=O)/C=C/c1cc(C)ccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ TTR P02766 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ CCNC P24863 2/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 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
SCHEMBL10151369 1.00 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL2480689 0.94 MGLL (0.42) MGLLESR1TTRDPP4CA12
SCHEMBL6741561 0.94 MGLL (0.42) MGLLESR1TTRDPP4CA12
SCHEMBL10151059 0.90 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL2477015 0.90 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL6742553 0.89 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL10166275 0.89 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL2481304 0.89 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL10166265 0.89 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL2673483 0.89 CYP3A4 (0.39) MGLLESR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 — — 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MGLL 2051/4885ESR1 553/4885TTR 4703/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885ESR1 423/4885TTR 3808/4885

“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.