SCHEMBL2139833

SCHEMBL2139833

C=C(C)C(=O)OCCNC=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCAR2 Q8TDS4 6/20 0.33

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
SCHEMBL1086964 0.79 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5831740 0.79 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18843939 0.79 ALDH1A1 (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24755314 0.76 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL18636940 0.76 HCAR2 (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15525410 0.75 HCAR2 (0.39) THRBTSHRALDH1A1HTTHCAR2
Fumaric Acid SCHEMBL690033 0.75 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Fumaric Acid SCHEMBL28356830 0.75 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Maleic Acid SCHEMBL690032 0.75 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15453344 0.74 HCAR2 (0.41) TSHRALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765159-B2 Redispersible nanoparticles MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-8586659-B2 Redispersible surfaced-modified particles MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-8188180-B2 Binding agent MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-29 US disclosed
US-20110054074-A1 ADHESIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-03-03 US disclosed
US-20100215959-A1 SILANES MERCK PATENT GMBH (DE) 2010-08-26 US disclosed
US-20100120935-A1 BINDING AGENT MERCK PATENT GESELLSCHAFT (DE) 2010-05-13 US disclosed
US-20100092761-A1 NANOPARTICLES MERCK PATENT GESELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100010137-A1 REDISPERSIBLE SURFACED-MODIFIED PARTICLES MERCK PATENT GESELLSCHAFT (DE) 2010-01-14 US disclosed
US-20090203838-A1 REDISPERSIBLE NANOPARTICLES MERCK PATENT GESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7488769-B2 Aqueous dispersion of inorganic nanoparticles, method for the production and use thereof BASF COATINGS AG (DE) 2009-02-10 US disclosed
US-20080248289-A1 Zinc Oxide Nanoparticles MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20050159523-A1 Aqueous dispersion of inorganic nanoparticles, method for the production and use thereof BASF CORPORATION, 26701 TELEGRAPH ROAD (US) 2005-07-21 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 (1 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-20100215959-A1 SILANES SGMS1, SGMS2, SUMO3 THRB 4662/4885TSHR 3867/4885ALDH1A1 2286/4885

“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.