SCHEMBL4520688

SCHEMBL4520688

Cn1c(=O)c(C(=O)C=Cc2cccc(OCCO)c2)c(O)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
APP P05067 1/20 0.39
PADI4 Q9UM07 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
KCNA3 P22001 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL4520684 1.00 NQO1 (0.42) NQO1ABCG2APPPADI4ALDH1A1
SCHEMBL4527547 0.91 BCHE (0.44) NQO1ABCG2APPALDH1A1LMNA
SCHEMBL4527553 0.91 BCHE (0.44) NQO1ABCG2APPALDH1A1LMNA
SCHEMBL4520585 0.89 NQO1 (0.42) NQO1ABCG2PADI4ALDH1A1SMN1; SMN2
SCHEMBL4520592 0.89 NQO1 (0.42) NQO1ABCG2PADI4ALDH1A1SMN1; SMN2
SCHEMBL4510109 0.88 CYSLTR2 (0.44) NQO1ABCG2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4510106 0.88 CYSLTR2 (0.44) NQO1ABCG2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4510491 0.80 KDM4E (0.39) ALDH1A1CYP1A2KDM4E
SCHEMBL4510487 0.80 KDM4E (0.39) ALDH1A1CYP1A2KDM4E
SCHEMBL4522131 0.79 RXFP1 (0.41) ABCG2ALDH1A1SMN1; SMN2LMNACYP1A2

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 NQO1 1490/4885ABCG2 1660/4885APP 3004/4885

“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.