SCHEMBL18259965

SCHEMBL18259965

CC(C)(C)OC(=O)N(CCCCCCOc1ccc(C(=O)O)cc1)CC(O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ PLA2G4B P0C869 1/20 0.33
▸ ADRB2 P07550 6/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ NR4A3 Q92570 1/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32

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
SCHEMBL18260077 1.00 L3MBTL1 (0.35) L3MBTL1PLA2G4BADRB2CHRM3NR4A1
SCHEMBL18260092 0.94 L3MBTL1 (0.35) L3MBTL1ADRB2CHRM3ADRB1ADRB3
SCHEMBL18260093 0.94 L3MBTL1 (0.35) L3MBTL1ADRB2CHRM3ADRB1ADRB3
SCHEMBL18918560 0.94 LPAR1 (0.38) L3MBTL1ADRB2NR4A1NR4A2NR4A3
SCHEMBL18918561 0.94 LPAR1 (0.38) L3MBTL1ADRB2NR4A1NR4A2NR4A3
SCHEMBL17986009 0.91 ADRB2 (0.36) L3MBTL1ADRB2CHRM3ADRB1ADRB3
SCHEMBL17978866 0.91 ADRB2 (0.36) L3MBTL1ADRB2CHRM3ADRB1ADRB3
SCHEMBL17985981 0.90 PTGER1 (0.37) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL17979050 0.90 PTGER1 (0.37) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL18269503 0.90 L3MBTL1 (0.34) L3MBTL1ADRB2ADRB1HDAC3HDAC1

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
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 — — US disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 — — 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-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A L3MBTL1 3494/4885PLA2G4B 1223/4885ADRB2 1/4885

“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.

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