SCHEMBL22657335

SCHEMBL22657335

CC(C)(C)OC(=O)N[C@@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
KDM1A O60341 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CPB1 P15086 1/20 0.37
AGTR2 P50052 5/20 0.37
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 1/20 0.37
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL22657339 0.82 MAOA (0.44) KMT2AL3MBTL1NPC1PKMRAB9A
SCHEMBL22657363 0.82 NPC1 (0.45) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL22657343 0.82 MAOB (0.45) L3MBTL1NPC1PKMRAB9AMAOB
SCHEMBL22657362 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL22657370 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL21091942 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL30207384 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL22657360 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL22657371 0.80 ADRB2 (0.52) KMT2ANPC1PKMRAB9AMAOB
SCHEMBL21053143 0.79 MAOA (0.46) KMT2ANPC1PKMRAB9AMAOB

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-11590089-B2 Beta-2 selective adrenergic receptor agonists THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-28 US disclosed
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-19 US disclosed
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-19 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-11590089-B2 Beta-2 selective adrenergic receptor agonists ADRB2, ADRB1, ADRA2C KMT2A 3974/4885L3MBTL1 1504/4885CA1 4391/4885
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2C KMT2A 3974/4885L3MBTL1 1504/4885CA1 4391/4885

“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.