SCHEMBL5090755

SCHEMBL5090755

CCCc1c(CC(=O)OC)cc(OC)cc1OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.50
▸ MTNR1B P49286 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ PPARA Q07869 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
SCHEMBL5093626 0.92 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1ABCB1TDP1
SCHEMBL4381103 0.83 MTNR1A (0.45) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL20954700 0.80 MTNR1A (0.58) MTNR1AMTNR1BL3MBTL1ABCB1TDP1
SCHEMBL5446276 0.78 L3MBTL1 (0.53) MTNR1AMTNR1BL3MBTL1ALDH1A1ALOX5
SCHEMBL13760599 0.76 ALDH1A1 (0.51) L3MBTL1ALDH1A1ALOX5
SCHEMBL20954703 0.76 MEN1 (0.51) MTNR1AMTNR1BL3MBTL1ALDH1A1ALOX5
SCHEMBL20954710 0.76 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1ALDH1A1PPARA
SCHEMBL20954694 0.75 MTNR1A (0.48) MTNR1AMTNR1BL3MBTL1ALDH1A1ALOX5
SCHEMBL4034898 0.75 MTNR1A (0.54) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL392863 0.75 ALOX5 (0.66) ALDH1A1ALOX5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 — — US disclosed
EP-1422224-B1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN SHISEIDO CO LTD (JP) 2007-12-19 — — EP disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 — — US disclosed
EP-1422224-A1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN Shiseido Co., Ltd. (JP) 2004-05-26 — — 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-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 MTNR1A 3316/4885MTNR1B 3685/4885L3MBTL1 4768/4885

“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.

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