SCHEMBL2279889

SCHEMBL2279889

COc1cc(C)n(C)c(=O)c1C(=O)C=Cc1cccc(OCC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 5/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A1 P04798 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SNCA P37840 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2279886 1.00 ABCG2 (0.49) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2283712 0.94 L3MBTL1 (0.44) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2283707 0.94 L3MBTL1 (0.44) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2278509 0.91 ABCG2 (0.50) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2278507 0.91 ABCG2 (0.50) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2277984 0.90 ABCG2 (0.49) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2277980 0.90 ABCG2 (0.49) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2284307 0.89 ABCG2 (0.48) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2284303 0.89 ABCG2 (0.48) ABCG2L3MBTL1ABCB1CYP1A2CYP2D6
SCHEMBL2279708 0.88 ABCG2 (0.46) ABCG2L3MBTL1CYP1A2CYP2D6MAPT

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 ABCG2 4878/4885L3MBTL1 1837/4885ABCB1 2475/4885

“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.