SCHEMBL5765

SCHEMBL5765

C=C1CCC(CCOC)(C(=O)OCC)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL4518 0.86 MAPK1 (0.52) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL16639039 0.86 ATM (0.40) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL22280417 0.81 ATM (0.41) KDM4EMEN1KMT2AL3MBTL1ATM
SCHEMBL17048789 0.80 ATM (0.40) KDM4EMEN1KMT2AMAPTATM
SCHEMBL743660 0.78 MAPK1 (0.53) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL11064 0.78 MAPK1 (0.48) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL10401 0.78 MAPK1 (0.48) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5180 0.77 MAPK1 (0.55) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5752 0.77 MAPK1 (0.55) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL5270 0.77 MAPK1 (0.55) KDM4EMAPK1MEN1KMT2AMAPT

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-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-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 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 (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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE KDM4E 3143/4885MAPK1 2336/4885MEN1 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.