SCHEMBL6545334

SCHEMBL6545334

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6546182 0.92 MAPT (0.44) SMN1; SMN2MAPTTRPM8GAANPSR1
SCHEMBL6545462 0.83 NPSR1 (0.40) SMN1; SMN2MAPTTRPM8GAANPSR1
SCHEMBL11815554 0.66 GAA (0.72) SMN1; SMN2MAPTGAANPSR1POLB
SCHEMBL6545090 0.65 NQO1 (0.42) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL8421528 0.65 SMN1; SMN2 (0.61) SMN1; SMN2MAPTGAANPSR1NPC1
SCHEMBL6546064 0.65 RAB9A (0.44) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL6778438 0.63 GAA (0.62) SMN1; SMN2MAPTGAANPSR1POLB
SCHEMBL7206841 0.63 SMN1; SMN2 (0.43) SMN1; SMN2MAPTGAAMEN1KMT2A
SCHEMBL27460110 0.63 SMN1; SMN2 (0.59) SMN1; SMN2MAPTGAANPSR1POLB
SCHEMBL6546178 0.62 ALDH1A1 (0.41) SMN1; SMN2MAPTGAANPSR1MEN1

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 SMN1; SMN2 4648/4885MAPT 4794/4885TRPM8 2429/4885

“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.