SCHEMBL21906706

SCHEMBL21906706

O=C(OCc1ccccc1)N1CC(OCCOC2CCCCO2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.45
PDE4B Q07343 3/20 0.44
PREP P48147 1/20 0.42
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
HTR1A P08908 2/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADRA2C P18825 1/20 0.42
HTT P42858 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL2148636 0.93 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL578446 0.90 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17765057 0.90 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31315435 0.85 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22092035 0.84 PREP (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3125423 0.83 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9184466 0.80 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL373921 0.79 MEN1 (0.49) MEN1KMT2A
SCHEMBL9184300 0.79 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9202995 0.79 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US 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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 MEN1 3118/4885KMT2A 1680/4885NPSR1 2872/4885

“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.