SCHEMBL3684680

SCHEMBL3684680

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MME P08473 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
BIRC2 Q13490 1/20 0.32
EPHX1 P07099 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3687012 0.83 MGAM (0.36) CA1CA2MGAMGAASI
SCHEMBL8357552 0.81 SMN1; SMN2 (0.35) CA1CA2MGAMGAASI
SCHEMBL3686978 0.79 CA1 (0.43) CA1CA2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7977852 0.78 SMN1; SMN2 (0.38) CA1CA2MGAMGAASI
SCHEMBL188112 0.78 SMN1; SMN2 (0.38) CA1CA2MGAMGAASI
SCHEMBL4570452 0.77 ALDH1A1 (0.37) CA1CA2MGAMGAASI
SCHEMBL14942765 0.77 CA2 (0.61) CA1CA2MGAMGAASI
SCHEMBL7745289 0.76 EPHX1 (0.32) CA1CA2MGAMGAASI
SCHEMBL7750328 0.75 ALDH1A1 (0.32) CA1CA2MGAMGAASI
SCHEMBL6437698 0.74 MGAM (0.43) CA1CA2MGAMGAASI

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 CA1 2468/4885CA2 1514/4885MGAM 1118/4885

“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.