SCHEMBL10158708

SCHEMBL10158708

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10158711 0.81 LMNA (0.32) ALDH1A1
SCHEMBL4567267 0.77 TDP1 (0.42) TSHRALDH1A1
SCHEMBL9281243 0.76 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL10158715 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6557832 0.74 TSHR (0.35) TSHRALDH1A1
SCHEMBL14260247 0.74
SCHEMBL10158713 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10158702 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL23817270 0.71 MEN1 (0.32) TSHR
SCHEMBL17489178 0.71 TSHR (0.64) TSHRALDH1A1

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 TSHR 4398/4885ALDH1A1 2505/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB TSHR 4398/4885ALDH1A1 2505/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB TSHR 4398/4885ALDH1A1 2505/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB TSHR 4398/4885ALDH1A1 2505/4885

“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.