SCHEMBL18259987

SCHEMBL18259987

COC(=O)c1ccc(OCCCC2OCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 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
SCHEMBL17978986 0.96 MAPT (0.62) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL13859601 0.89 MAPT (0.64) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL18259963 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL14597294 0.83 MAPT (0.60) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL7505320 0.81 CYP4A11 (0.60) MAPTRAB9AALDH1A1TDP1CA1
SCHEMBL2469151 0.81 MAPT (0.89) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL18259924 0.80 ALDH1A1 (0.48) MAPTRAB9AKDM4EKMT2AALDH1A1
SCHEMBL5054312 0.80 MAPT (0.85) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL17979185 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL1951546 0.79 MAPT (1.00) MAPTRAB9AKDM4EMEN1KMT2A

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 11 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
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
EP-3303333-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-04-11 — — 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-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-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 — — US disclosed
WO-2016193241-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO disclosed
WO-2016193241-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO 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
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
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 MAPT 2548/4885RAB9A 1899/4885KDM4E 4510/4885

“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.

Send feedback