SCHEMBL13714844

SCHEMBL13714844

C=CC(=O)OCCNC(=O)OCC1CCC(COC(=O)NCCOC(=O)C=C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.33
PTGIR P43119 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACHE P22303 7/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGM2 P21980 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
SCHEMBL18467741 0.94 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17875646 0.86 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13975689 0.83 TDP1 (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19636117 0.82 TSHR (0.33) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL13899170 0.82 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL24031881 0.82 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12111976 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13872046 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13966737 0.81 EPHX1 (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18352484 0.80 LMNA (0.41) HRH4HRH3

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-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 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-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 TSHR 4731/4885ALDH1A1 119/4885TP53 3844/4885

“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.