Sugi Predict

Sugi Predict / Compounds / SCHEMBL6741955

SCHEMBL6741955

SCHEMBL6741955

CCOC(=O)/C=C/c1c(OC(C)C)cccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL6794017 1.00 MGLL (0.40) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6796217 0.92 MGLL (0.39) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6742522 0.92 MGLL (0.39) MGLLL3MBTL1CA12CA1CA2
SCHEMBL13264010 0.92 MGLL (0.41) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6741959 0.92 MGLL (0.41) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6741139 0.91 CYP1A2 (0.42) MGLLL3MBTL1CA12CA1CA2
SCHEMBL2473950 0.89 MGLL (0.43) MGLLL3MBTL1CA12CA1CA2
SCHEMBL10164599 0.89 MGLL (0.43) MGLLL3MBTL1CA12CA1CA2
SCHEMBL2480029 0.86 MGLL (0.41) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6742430 0.86 MGLL (0.41) MGLLL3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 — — EP disclosed
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
WO-2010074089-A1 INDANYL 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 2051/4885L3MBTL1 4719/4885CA12 1724/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885L3MBTL1 4401/4885CA12 3203/4885

“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.