SCHEMBL5093626

SCHEMBL5093626

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.49
▸ FFAR1 O14842 5/20 0.48
▸ MTNR1B P49286 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL5090755 0.92 MTNR1A (0.50) MTNR1AFFAR1MTNR1BL3MBTL1ABCB1
SCHEMBL5122876 0.79 MTNR1A (0.57) MTNR1AMTNR1BL3MBTL1ABCB1TDP1
SCHEMBL21438534 0.79 HSD17B10 (0.68) MTNR1AMTNR1BL3MBTL1ABCB1HSD17B10
SCHEMBL1097150 0.76 L3MBTL1 (0.61) FFAR1L3MBTL1TDP1HSD17B10PPARG
SCHEMBL6036137 0.76 HSD17B10 (0.68) MTNR1AMTNR1BL3MBTL1HSD17B10PPARG
SCHEMBL17892024 0.75 ABCB1 (0.66) MTNR1AFFAR1MTNR1BL3MBTL1ABCB1
SCHEMBL7823412 0.74 PTGER1 (0.54) MTNR1AFFAR1MTNR1BFFAR4ALOX5
SCHEMBL3813849 0.74 PTGER1 (0.54) FFAR1L3MBTL1FFAR4ALOX5HSD17B10
SCHEMBL5092345 0.74 POLB (0.60) MTNR1AMTNR1BL3MBTL1TDP1HSD17B10
SCHEMBL4381103 0.74 MTNR1A (0.45) MTNR1AMTNR1BL3MBTL1HDAC8

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 3316/4885FFAR1 3086/4885MTNR1B 3685/4885

“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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