SCHEMBL6546182

SCHEMBL6546182

C=CCN(CC=C)P(=O)(OCC(=O)OCC)c1ccc(OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 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
SCHEMBL6545334 0.92 SMN1; SMN2 (0.42) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL6545462 0.90 NPSR1 (0.40) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL11815554 0.70 GAA (0.72) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL8421528 0.69 SMN1; SMN2 (0.61) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL6778438 0.67 GAA (0.62) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL7206841 0.67 SMN1; SMN2 (0.43) MAPTSMN1; SMN2GAAPOLBNPC1
SCHEMBL27460110 0.66 SMN1; SMN2 (0.59) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL6545061 0.66 MAPT (0.49) MAPTSMN1; SMN2GAAPOLBNPC1
SCHEMBL31517003 0.65 MAPT (0.63) MAPTSMN1; SMN2NPSR1POLBNPC1
SCHEMBL2624372 0.64 GAA (0.62) MAPTGAANPSR1POLBNPC1

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 MAPT 4794/4885SMN1; SMN2 4648/4885GAA 701/4885

“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.