SCHEMBL10158741

SCHEMBL10158741

COCC(COC(C)=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL21344787 0.94 ALDH1A1 (0.65) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL9359510 0.89 ALDH1A1 (0.59) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL9194035 0.89 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA3
SCHEMBL16854594 0.85 TSHR (0.44) ALDH1A1CA12CA1CA2CA3
SCHEMBL10158689 0.85 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA3
SCHEMBL10158691 0.84 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA3
SCHEMBL9191601 0.83 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA3
SCHEMBL10158705 0.82 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA3
SCHEMBL29344722 0.81 ALDH1A1 (0.53) ALDH1A1SLC1A1MAPK1L3MBTL1TDP1
SCHEMBL5664039 0.81 ALDH1A1 (0.65) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160169864-A1 FIBER COATED NANOPORES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.