SCHEMBL4510106

SCHEMBL4510106

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c3cccnc3n(C)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
NQO1 P15559 2/20 0.43
ABCG2 Q9UNQ0 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNA3 P22001 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
ABCB1 P08183 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4510109 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1NQO1ABCG2L3MBTL1
SCHEMBL4520592 0.91 NQO1 (0.42) CYSLTR2CYSLTR1NQO1ABCG2L3MBTL1
SCHEMBL4520585 0.91 NQO1 (0.42) CYSLTR2CYSLTR1NQO1ABCG2L3MBTL1
SCHEMBL13818099 0.90 PADI4 (0.38) NQO1L3MBTL1CYP1A1CYP1A2CYP2D6
SCHEMBL4520688 0.88 NQO1 (0.42) NQO1ABCG2L3MBTL1CYP1A1CYP1A2
SCHEMBL4520684 0.88 NQO1 (0.42) NQO1ABCG2L3MBTL1CYP1A1CYP1A2
SCHEMBL2280086 0.86 PADI4 (0.48) CYSLTR2CYSLTR1NQO1ABCG2L3MBTL1
SCHEMBL2280088 0.86 PADI4 (0.48) CYSLTR2CYSLTR1NQO1ABCG2L3MBTL1
SCHEMBL4527547 0.86 BCHE (0.44) NQO1ABCG2ALDH1A1LMNA
SCHEMBL4527553 0.86 BCHE (0.44) NQO1ABCG2ALDH1A1LMNA

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-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1857104-A1 USE OF CINNAMOYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-11-21 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-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 CYSLTR2 1079/4885CYSLTR1 1024/4885NQO1 1490/4885

“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.