SCHEMBL3685260

SCHEMBL3685260

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
EPHX1 P07099 1/20 0.31
DGAT1 O75907 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3686089 0.80 DGAT1 (0.33) DGAT1
SCHEMBL3685263 0.75 MEN1 (0.41) MMP8MGAMGAASIMGAM2
SCHEMBL234361 0.73 MMP8 (0.41) MMP8DGAT1GAA
SCHEMBL10054497 0.72
SCHEMBL809243 0.71 DGAT1 (0.40) DGAT1MGAMGAASIMGAM2
SCHEMBL30992192 0.71 KCNN4 (0.49)
SCHEMBL2650988 0.71 DGAT1 (0.39) MMP8DGAT1PKM
SCHEMBL30992195 0.70 MEN1 (0.37) EPHX1GAA
SCHEMBL30992207 0.70 KCNN4 (0.47) MMP8
SCHEMBL29674742 0.69 DGAT1 (0.39) DGAT1MGAMGAASIMGAM2

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 8 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
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
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
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
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 MMP8 3418/4885EPHX1 1039/4885DGAT1 1769/4885

“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.