SCHEMBL2033134

SCHEMBL2033134

C=C(C)C(=O)OCCC(=O)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
WEE1 P30291 1/20 0.33
TBXAS1 P24557 3/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
AHR P35869 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1148083 0.83 THRB (0.45) THRBTSHRTDP1POLBAPEX1
SCHEMBL25507902 0.82 TBXAS1 (0.36) TDP1WEE1TBXAS1EGLN3AHR
SCHEMBL13225859 0.79 THRB (0.49) THRBTSHRTDP1POLBAPEX1
SCHEMBL1783025 0.79 TDP1 (0.38) TDP1HTTWEE1TBXAS1EGLN3
SCHEMBL17589662 0.79 THRB (0.37) THRBTSHRTDP1POLBAPEX1
SCHEMBL2482514 0.78 THRB (0.37) THRBTSHRTDP1POLBAPEX1
SCHEMBL20072386 0.78 THRB (0.36) THRBTSHRTDP1POLBAPEX1
SCHEMBL9218688 0.78 TBXAS1 (0.35) TDP1TBXAS1EGLN3AHRALDH1A1
SCHEMBL14427880 0.76 TDP1 (0.36) THRBTDP1TBXAS1EGLN3AHR
SCHEMBL11463256 0.76 EGLN3 (0.45) TDP1WEE1TBXAS1EGLN3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329486-B2 Cyanostilbenes ROLIC AG (CH) 2019-06-25 US disclosed
US-20160083655-A1 CYANOSTILBENES ROLIC AG (CH) 2016-03-24 US disclosed
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 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 (3 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-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C THRB 4831/4885TSHR 4847/4885TDP1 3982/4885
US-20160083655-A1 CYANOSTILBENES LATS1, LATS2, CRY1 THRB 4281/4885TSHR 4718/4885TDP1 1993/4885
US-10329486-B2 Cyanostilbenes LATS1, LATS2, CRY1 THRB 4281/4885TSHR 4718/4885TDP1 1993/4885

“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.