SCHEMBL6546178

SCHEMBL6546178

C=CCCNP(=O)(OCC(=O)OCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AOX1 Q06278 1/20 0.39
BTN3A1 O00481 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 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
SCHEMBL6546064 0.91 RAB9A (0.44) ALDH1A1SMN1; SMN2BTN3A1RAB9ANPC1
SCHEMBL7206841 0.72 SMN1; SMN2 (0.43) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
Malonic Acid Diethyl Ester SCHEMBL28126913 0.64 MEN1 (0.54) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL16045244 0.64 MEN1 (0.53) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1131772 0.64 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2PKMMEN1
SCHEMBL52770 0.63 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13188701 0.63 POLB (0.61) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3747191 0.63 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13537814 0.63 BTN3A1 (0.45) ALDH1A1TSHRSMN1; SMN2KMT2ABTN3A1
Hydrochloric Acid SCHEMBL27506731 0.62 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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 ALDH1A1 1152/4885TSHR 4193/4885SMN1; SMN2 4648/4885

“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.