SCHEMBL4518

SCHEMBL4518

CCOC(=O)C1(CCOC)CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL11064 0.91 MAPK1 (0.48) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL10401 0.91 MAPK1 (0.48) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL5765 0.86 KDM4E (0.51) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL5949120 0.84 POLB (0.38) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL28108062 0.83 KMT2A (0.40) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL5949812 0.82 POLB (0.41) KDM4EMEN1KMT2AMAPTATM
SCHEMBL15166991 0.80 POLB (0.40) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL16628708 0.80 KCNA3 (0.35) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL743660 0.79 MAPK1 (0.53) MAPK1KDM4EMEN1KMT2AMAPT
SCHEMBL17162705 0.79 POLB (0.39) MEN1KMT2AATMLMNAALDH1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
EP-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809384-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8722721-B2 SEC-hydroxycyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-8722721-B2 SEC-hydroxycyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-8722721-B2 SEC-hydroxycyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-8703807-B2 Azaspirodecanone compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
WO-2012123432-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-09-20 US disclosed
WO-2012123432-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
WO-2012123468-A1 NEW AZASPIRODECANONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238613-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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 (3 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-20120238613-A1 SEC-HYDROXYCYCLOHEXYL DERIVATIVES SEC61B, SEC61A1, SEC22B MAPK1 2574/4885KDM4E 3279/4885MEN1 887/4885
US-20120238594-A1 AZASPIRODECANONE COMPOUNDS CYP51A1, HSD17B7, NR5A1 MAPK1 3731/4885KDM4E 277/4885MEN1 320/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE MAPK1 2336/4885KDM4E 3143/4885MEN1 4517/4885

“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.