SCHEMBL10158672

SCHEMBL10158672

COCC(COC(=O)OCCCCCC(C)=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.40
AKT1 P31749 3/20 0.40
AKT2 P31751 3/20 0.40
AKT3 Q9Y243 3/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
LPAR3 Q9UBY5 4/20 0.40
LPAR6 P43657 3/20 0.40
LPAR1 Q92633 3/20 0.40
LPAR4 Q99677 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
LPAR2 Q9HBW0 3/20 0.40
ALDH1A1 P00352 1/20 0.37
PRKCA P17252 2/20 0.36
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10158740 0.83 ALDH1A1 (0.48) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL10158723 0.83 ALDH1A1 (0.38) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL10158744 0.82 ALDH1A1 (0.47) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL10158751 0.82 ALDH1A1 (0.57) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL12564600 0.82 ALDH1A1 (0.61) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL17830120 0.82 ALDH1A1 (0.43) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL10158747 0.81 ALDH1A1 (0.46) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL18236019 0.81 ALDH1A1 (0.43) ENPP2LPAR3LPAR6LPAR1LPAR4
SCHEMBL10158697 0.78 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL10158703 0.76 ALDH1A1 (0.39) ALDH1A1TDP1

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 ENPP2 1321/4885AKT1 3443/4885AKT2 3667/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB ENPP2 1321/4885AKT1 3443/4885AKT2 3667/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB ENPP2 1321/4885AKT1 3443/4885AKT2 3667/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB ENPP2 1321/4885AKT1 3443/4885AKT2 3667/4885

“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.