SCHEMBL12433012

SCHEMBL12433012

CB(O)NCCC(O)c1cccc(OCCCCOCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4569133 0.85 CYSLTR2 (0.50) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL4569132 0.85 MAPK1 (0.40) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL4568884 0.83 CYSLTR2 (0.51) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL2204281 0.83 KMT2A (0.45) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL29818773 0.83 KMT2A (0.45) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL4568812 0.82 CYSLTR2 (0.50) MEN1KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL2208049 0.82 KMT2A (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL29818987 0.82 KMT2A (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3963466 0.82 SMN1; SMN2 (0.46) ADRB2ADRB1ADRB3KMT2AMAPK1
SCHEMBL4569126 0.82 CYSLTR2 (0.45) SMN1; SMN2ALDH1A1LMNAHPGDCYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 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 (2 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ADRB2 896/4885ADRB1 429/4885ADRB3 321/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ADRB2 931/4885ADRB1 461/4885ADRB3 322/4885

“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.