SCHEMBL10158689

SCHEMBL10158689

COCC(COC(=O)OCC(C)=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN9A Q15858 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10158691 0.88 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL10158705 0.86 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL10158703 0.85 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL10158741 0.85 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL10158697 0.84 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL16854594 0.80 TSHR (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL21344787 0.78 ALDH1A1 (0.65) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL28610357 0.77 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9CA7
SCHEMBL9194035 0.77 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL10158715 0.77 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130195954-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2013-08-01 US disclosed
US-8338492-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-25 US disclosed
US-8334324-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-18 US disclosed
US-20120107365-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-05-03 US disclosed
US-20110152305-A1 FILMS AND PARTICLES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US disclosed
US-7671095-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2010-03-02 US disclosed
US-20080075718-A1 Films and Particles THE TRUSTEES OF THE BOSTON UNIVERSITY 2008-03-27 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 (4 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-20110152305-A1 FILMS AND PARTICLES APOB, PGF, ACTB ALDH1A1 2505/4885CA12 1547/4885CA1 3355/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB ALDH1A1 2505/4885CA12 1547/4885CA1 3355/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB ALDH1A1 2505/4885CA12 1547/4885CA1 3355/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB ALDH1A1 2505/4885CA12 1547/4885CA1 3355/4885

“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.