SCHEMBL3685263

SCHEMBL3685263

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP8 P22894 1/20 0.38
PKM P14618 3/20 0.34
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3686093 0.85 MEN1 (0.41) MEN1KMT2AMMP8PKMPIN1
SCHEMBL9364104 0.81 MMP8 (0.51) MEN1KMT2AMMP8PKMPIN1
SCHEMBL456197 0.76 MEN1 (0.48) MEN1KMT2AMMP8PKMPIN1
SCHEMBL3685260 0.75 MMP8 (0.33) MMP8PKMMGAMGAASI
SCHEMBL9785521 0.74 MMP8 (0.41) MEN1KMT2AMMP8PKMPIN1
SCHEMBL10909507 0.74 MMP8 (0.49) MEN1KMT2AMMP8PKMPIN1
SCHEMBL9785432 0.74 MMP8 (0.41) MEN1KMT2AMMP8PKMPIN1
SCHEMBL9819873 0.74 PKM (0.47) MEN1KMT2AMMP8PKMPIN1
SCHEMBL30440649 0.74 MEN1 (0.47) MEN1KMT2AMMP8PKMPIN1
SCHEMBL8306724 0.74 MEN1 (0.47) MEN1KMT2AMMP8PKMPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
EP-2060557-A1 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2009-05-20 EP disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US 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-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON DHPS, ALG8, DDOST MEN1 2493/4885KMT2A 4173/4885MMP8 3418/4885

“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.