SCHEMBL2835703

SCHEMBL2835703

CC1(C)OCc2cc(C(O)CN(C(=O)O)C(C)(C)C)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.36
AOC3 Q16853 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2580615 1.00 ADRB2 (0.36) ADRB2AOC3LMNATSHRKDM4E
SCHEMBL3024798 0.88 ADRB2 (0.34) ADRB2AOC3
SCHEMBL2831936 0.77 ADRB2 (0.41) ADRB2LMNATSHRKDM4EMEN1
SCHEMBL925596 0.77 ADRB2 (0.41) ADRB2LMNATSHRKDM4EMEN1
SCHEMBL2012341 0.76 NFKB1 (0.41) ADRB2AOC3LMNATSHRKDM4E
SCHEMBL2569901 0.76 ADRB2 (0.38) ADRB2AOC3
SCHEMBL1205580 0.76 NFKB1 (0.41) ADRB2AOC3LMNATSHRKDM4E
SCHEMBL828863 0.76 ADRB2 (0.38) ADRB2AOC3
SCHEMBL17651818 0.76 ADRB2 (0.38) ADRB2AOC3TSHR
SCHEMBL1204929 0.76 NFKB1 (0.41) ADRB2AOC3LMNATSHRKDM4E

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-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 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-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 ADRB2 2/4885AOC3 533/4885LMNA 3981/4885

“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.