SCHEMBL5090772

SCHEMBL5090772

COCCOCCOc1ccc(C(O)C(=O)OC)cc1OCCOCCOC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.48
KDM4E B2RXH2 5/20 0.41
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5092331 0.88 BLM (0.51) FDPSKDM4EHTTKMT2ABLM
SCHEMBL9364775 0.76 FDPS (0.39) FDPSBLMNPSR1
SCHEMBL9364780 0.76 FDPS (0.39) FDPSBLMNPSR1
SCHEMBL5097970 0.76 GLS (0.40) FDPSKDM4EHTTKMT2ALIPG
SCHEMBL187421 0.75 ACHE (0.55) KMT2ABLMNPSR1TSHRLMNA
SCHEMBL30979830 0.75 ACHE (0.55) KMT2ABLMNPSR1TSHRLMNA
SCHEMBL187420 0.75 ACHE (0.55) KMT2ABLMNPSR1TSHRLMNA
SCHEMBL4151760 0.73 ALDH1A1 (0.44) NPSR1LMNAALDH1A1PDE4BPDE4C
SCHEMBL13498040 0.73 FDPS (0.49) FDPSKDM4EHTTKMT2ALIPG
SCHEMBL841627 0.71 MAOB (0.41) FDPSKDM4EKMT2ALMNAALDH1A1

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 FDPS 3002/4885KDM4E 1020/4885HTT 2762/4885

“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.