SCHEMBL1021806

SCHEMBL1021806

CCOC(=O)CC(=O)C1CCC(C(=O)OCC)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MAPT P10636 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMYD3 Q9H7B4 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10236613 0.92 GAA (0.45) MGAMGAASIMGAM2MAPT
SCHEMBL1014646 0.85 GAA (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1169394 0.85 MAPT (0.52) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2680543 0.81 GAA (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL10236626 0.81 GAA (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL31196227 0.78 PPM1B (0.47) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL1617817 0.78 GAA (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29254271 0.78 PPM1B (0.47) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2005270 0.78 GAA (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1169921 0.77 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR MGAM 4072/4885GAA 2432/4885SI 3375/4885

“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.