SCHEMBL3573228

SCHEMBL3573228

Cc1cccc(OCC(C)N(O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 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
SCHEMBL3566340 0.83 ADRB2 (0.50) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL19564642 0.73 FDPS (0.53) SMN1; SMN2KMT2AGAAHPGD
SCHEMBL7385040 0.73 GAA (0.62) SMN1; SMN2KMT2AGAAHPGD
SCHEMBL3573225 0.72 ADRB2 (0.47) ADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL14134838 0.72 PPARA (0.52) ADRB2ADRB1SMN1; SMN2
SCHEMBL3573224 0.72 ADRB2 (0.47) ADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL4972805 0.71 LMNA (0.45) ADRB2ADRB1SMN1; SMN2KMT2AMTNR1A
SCHEMBL4972800 0.71 LMNA (0.45) ADRB2ADRB1SMN1; SMN2KMT2AMTNR1A
SCHEMBL13986557 0.70 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AGAAHPGD
SCHEMBL17340933 0.70 ADRB2 (0.54) ADRB2ADRB1SMN1; SMN2KMT2A

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A ADRB2 405/4885ADRB1 493/4885SMN1; SMN2 891/4885

“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.