SCHEMBL12433002

SCHEMBL12433002

CCOC(=O)CCCOc1cccc(C(O)CCNB(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
FAAH O00519 1/20 0.42
PFKFB3 Q16875 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.41
LTA4H P09960 1/20 0.40
LTB4R Q15722 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
SCHEMBL4569126 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALDH1A1LTB4R
SCHEMBL4569127 0.87 LTB4R (0.42) CYSLTR2CYSLTR1ALDH1A1LTB4R
SCHEMBL4569128 0.87 L3MBTL1 (0.45) CYSLTR2CYSLTR1L3MBTL1ALDH1A1LTB4R
SCHEMBL16572770 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAHPFKFB3MAPK1
SCHEMBL4569133 0.84 CYSLTR2 (0.50) CYSLTR2CYSLTR1MAPK1ALDH1A1TSHR
SCHEMBL13881831 0.83 CYSLTR2 (0.43) CYSLTR2CYSLTR1FAAHPFKFB3MAPK1
SCHEMBL4569132 0.82 MAPK1 (0.40) CYSLTR2CYSLTR1MAPK1ALDH1A1TSHR
SCHEMBL2208832 0.81 PFKFB3 (0.42) CYSLTR2CYSLTR1FAAHPFKFB3MAPK1
SCHEMBL12433012 0.76 ADRB2 (0.41) CYSLTR2CYSLTR1MAPK1ALDH1A1TSHR
SCHEMBL3704874 0.74 CACNA1B (0.47) PFKFB3ALDH1A1

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 CYSLTR2 455/4885CYSLTR1 420/4885FAAH 1676/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CYSLTR2 456/4885CYSLTR1 417/4885FAAH 1666/4885

“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.