SCHEMBL10158719

SCHEMBL10158719

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.40
PAOX Q6QHF9 3/20 0.35
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
LPAR6 P43657 2/20 0.35
LPAR4 Q99677 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
CES2 O00748 1/20 0.32
DNM1 Q05193 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
AKT3 Q9Y243 2/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 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
SCHEMBL10158715 0.79 ALDH1A1 (0.34) CES2
SCHEMBL10158747 0.74 ALDH1A1 (0.46) TLR2PAOXLPAR1LPAR3LPAR6
SCHEMBL10158716 0.73 AKT1 (0.31) AKT1
SCHEMBL10158702 0.71 ALDH1A1 (0.37) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL10158713 0.71 ALDH1A1 (0.41)
SCHEMBL10158718 0.70 ALDH1A1 (0.48) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL10158689 0.70 ALDH1A1 (0.43)
SCHEMBL13445921 0.69 CES2 (0.34) LPAR1LPAR3LPAR6LPAR4LPAR5
SCHEMBL10158708 0.69 TSHR (0.31)
SCHEMBL10158711 0.69 LMNA (0.32)

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 TLR2 4114/4885PAOX 672/4885LPAR1 1089/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB TLR2 4114/4885PAOX 672/4885LPAR1 1089/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB TLR2 4114/4885PAOX 672/4885LPAR1 1089/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB TLR2 4114/4885PAOX 672/4885LPAR1 1089/4885

“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.