SCHEMBL10158702

SCHEMBL10158702

CCC(=O)OC(COC)COC(=O)OCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRKCA P17252 5/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR6 P43657 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
ENPP2 Q13822 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10158713 0.84 ALDH1A1 (0.41) ALDH1A1LMNAPRKCA
SCHEMBL15280953 0.81 ALDH1A1 (0.49) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13017860 0.81 MEN1 (0.44) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158715 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10158718 0.80 ALDH1A1 (0.48) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158716 0.78 AKT1 (0.31)
SCHEMBL15695764 0.74 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13017848 0.74 MEN1 (0.42) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL6898232 0.73 ALDH1A1 (0.45) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5308587 0.73 ALDH1A1 (0.55) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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 2505/4885LMNA 220/4885PRKCA 2951/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB ALDH1A1 2505/4885LMNA 220/4885PRKCA 2951/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB ALDH1A1 2505/4885LMNA 220/4885PRKCA 2951/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB ALDH1A1 2505/4885LMNA 220/4885PRKCA 2951/4885

“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.