SCHEMBL3566340

SCHEMBL3566340

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44

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
SCHEMBL3573228 0.83 ADRB2 (0.48) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL3585196 0.80 SMN1; SMN2 (0.44) ADRB2ADRB1SMN1; SMN2KMT2ALMNA
SCHEMBL3580418 0.78 MEN1 (0.48) ADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL14157447 0.78 ADRB2 (0.54) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL30416351 0.75 ADRB2 (0.65) ADRB2ADRB1SMN1; SMN2KMT2ALMNA
SCHEMBL1496566 0.75 ADRB2 (0.65) ADRB2ADRB1SMN1; SMN2KMT2ALMNA
SCHEMBL16095797 0.75 ADRB2 (0.50) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL16095798 0.75 ADRB2 (0.50) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL28430912 0.75 ADRB2 (0.50) ADRB2ADRB1SMN1; SMN2KMT2AGAA
SCHEMBL29996159 0.75 ADRB2 (0.50) ADRB2ADRB1SMN1; SMN2KMT2AGAA

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.