SCHEMBL4979031

SCHEMBL4979031

C=C(C)C(=O)OCCCCN(C)C(=O)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL4979637 0.98 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4979778 0.98 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5583026 0.98 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4980379 0.95 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18071284 0.90 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18071330 0.90 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4977814 0.88 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL499777 0.82 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4909696 0.82 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4911836 0.82 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080053835-A1 Monomer Compound, Process for Producing the Same, Polymer Thereof, and Water-Based Curable Composition KANSAI PAINT CO., LTD. (JP) 2008-03-06 US disclosed
EP-1798218-A1 MONOMER COMPOUND, PROCESS FOR PRODUCING THE SAME, POLYMER THEREOF, AND WATER-BASED CURABLE COMPOSITION KANSAI PAINT CO., LTD. (JP) 2007-06-20 EP 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-20080053835-A1 Monomer Compound, Process for Producing the Same, Polymer Thereof, and Water-Based Curable Composition THEM6, PAM, WEE1 TSHR 4460/4885THRB 3274/4885POLB 697/4885

“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.