SCHEMBL4178423

SCHEMBL4178423

COc1cccc([C@@H](CCO)c2cc(OC)ccc2B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ENPP2 Q13822 1/20 0.42
AOC3 Q16853 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CASR P41180 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9392741 0.83 MTNR1A (0.58) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL6301269 0.80 MTNR1A (0.63) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL9658024 0.78 MTNR1A (0.49) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL8661020 0.73 AOC3 (0.54) MTNR1AMTNR1BAOC3L3MBTL1CASR
SCHEMBL4161413 0.73 TSHR (0.44) MTNR1AMTNR1BENPP2
SCHEMBL11174933 0.72 AOC3 (0.50) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL6490320 0.72 AOC3 (0.62) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL24527630 0.71 AOC3 (0.53) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL382558 0.71 AOC3 (0.53) MTNR1AMTNR1BAOC3L3MBTL1ROCK2
SCHEMBL11468299 0.71 AOC3 (0.59) MTNR1AMTNR1BAOC3L3MBTL1ROCK2

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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds S1PR1, S1PR3, S1PR5 MTNR1A 255/4885MTNR1B 245/4885ENPP2 15/4885

“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.