SCHEMBL2277990

SCHEMBL2277990

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c(Br)c(C)n(C)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
NR1H4 Q96RI1 2/20 0.40
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL2277998 1.00 NQO1 (0.44) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL12374841 0.91 NQO1 (0.45) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2276772 0.84 ABCG2 (0.47) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2276769 0.84 ABCG2 (0.47) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2280086 0.83 PADI4 (0.48) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2280088 0.83 PADI4 (0.48) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL13403302 0.83 NQO1 (0.54) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2283102 0.82 CYSLTR2 (0.46) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2283107 0.82 CYSLTR2 (0.46) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2277984 0.81 ABCG2 (0.49) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2

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 5 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-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-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 NQO1 3106/4885CYSLTR2 829/4885CYSLTR1 466/4885

“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.