SCHEMBL2280086

SCHEMBL2280086

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c3ccccc3n(C)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.48
ALDH1A1 P00352 4/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
KDM4E B2RXH2 4/20 0.45
NQO1 P15559 2/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NLRP3 Q96P20 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2280088 1.00 PADI4 (0.48) PADI4ALDH1A1CYSLTR2CYSLTR1ABCG2
SCHEMBL2278736 0.91 PADI4 (0.50) PADI4ALDH1A1CYSLTR2ABCG2KDM4E
SCHEMBL2278731 0.91 PADI4 (0.50) PADI4ALDH1A1CYSLTR2ABCG2KDM4E
SCHEMBL2283097 0.90 PADI4 (0.50) PADI4CYSLTR2CYSLTR1ABCG2NQO1
SCHEMBL2283091 0.90 PADI4 (0.50) PADI4CYSLTR2CYSLTR1ABCG2NQO1
SCHEMBL12374853 0.88 PADI4 (0.49) PADI4ALDH1A1KDM4ETSHRNPC1
SCHEMBL12374841 0.87 NQO1 (0.45) ALDH1A1CYSLTR2CYSLTR1ABCG2KDM4E
SCHEMBL4510109 0.86 CYSLTR2 (0.44) ALDH1A1CYSLTR2CYSLTR1ABCG2NQO1
SCHEMBL4510106 0.86 CYSLTR2 (0.44) ALDH1A1CYSLTR2CYSLTR1ABCG2NQO1
SCHEMBL2284384 0.85 ALDH1A1 (0.47) PADI4ALDH1A1ABCG2KDM4ENQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
EP-1671948-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 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-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis COL2A1, COL1A1, COL14A1 PADI4 3678/4885ALDH1A1 576/4885CYSLTR2 829/4885

“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.