SCHEMBL6545924

SCHEMBL6545924

C=CCCOP(=O)(OCCC=C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TGM2 P21980 1/20 0.38
LTA4H P09960 6/20 0.37
PLA2G2A P14555 1/20 0.37
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL778514 0.87 ALOX15 (0.46) GAASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL6545090 0.79 NQO1 (0.42) SMN1; SMN2RAB9ATDP1L3MBTL1ALDH1A1
SCHEMBL3884045 0.78 GAA (0.40) GAAHTTTDP1ALDH1A1KDM4E
SCHEMBL16588474 0.74 SRC (0.41) HTTTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL28512677 0.74 MEN1 (0.59) GAASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL6545960 0.72 GAA (0.40) GAASMN1; SMN2GLAHTTRAB9A
SCHEMBL778515 0.71 TSHR (0.47) SMN1; SMN2L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL6545599 0.71 MAOA (0.38) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29565879 0.70 LTA4H (0.61) GAASMN1; SMN2GLAHTTRAB9A
SCHEMBL13430907 0.70 BTN3A1 (0.41) HTTTDP1L3MBTL1MEN1KMT2A

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
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
US-6605742-B2 Rheumatic diseases; antiarthritic agents; antitumor agents LEO PHARMA A/S (DK) 2003-08-12 US disclosed
US-20020177706-A1 Novel cyclo azaphospha hydrocarbons LEO PHARMA A/S (DK) 2002-11-28 US disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 WO 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-20020177706-A1 Novel cyclo azaphospha hydrocarbons CMA1, MMP9, CPA1 GAA 701/4885SMN1; SMN2 4648/4885GLA 762/4885

“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.