SCHEMBL6655232

SCHEMBL6655232

Fc1cccc2c1-c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
MAPK1 P28482 2/20 0.38
PTPRC P08575 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.38
NFE2L2 Q16236 3/20 0.36
PGR P06401 1/20 0.36
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL22129686 0.85 CA1 (0.48) PDK2CA1CA2CA7CA9
SCHEMBL2072999 0.80 MAPT (0.52) CA1CA2CA7CA9MAPK1
SCHEMBL13487410 0.80 PTPRC (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL8669578 0.80 MEN1 (0.55) CA1CA2CA7CA9MAPK1
SCHEMBL13487411 0.80 PTPRC (0.59) CA1CA2CA7CA9MAPK1
SCHEMBL29006462 0.79 PDK2 (0.41) PDK2CA1CA2CA7CA9
SCHEMBL29236876 0.78 ALDH1A1 (0.47) MAPK1PTPRCALDH1A1TSHRATM
SCHEMBL4827381 0.77 ALDH1A1 (0.41) PDK2CA1CA2CA7CA9
SCHEMBL5866470 0.76 CA1 (0.52) PDK2CA1CA2CA7CA9
SCHEMBL30389980 0.76 PTPRC (0.48) MAPK1PTPRCALDH1A1ACHEL3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103562198-B There is muscarinic receptor antagonist and the compound of beta 2-adrenergic receptor agonists activity 奇斯药制品公司 2016-08-24 CN claimed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US claimed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP claimed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 CN claimed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US claimed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO claimed
CN-112955010-B Microcapsule composition, method for producing same, pesticide preparation containing microcapsule composition, and method for controlling weeds 组合化学工业株式会社 2022-07-26 CN disclosed
CN-112955010-A Microcapsule composition, method for producing same, pesticide preparation containing microcapsule composition, and method for controlling weeds 组合化学工业株式会社 2021-06-11 CN disclosed
CN-107531700-B Mesoionic compounds 日本化药株式会社 2020-03-03 CN disclosed
CN-103562198-B There is muscarinic receptor antagonist and the compound of beta 2-adrenergic receptor agonists activity 奇斯药制品公司 2016-08-24 CN disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 CN disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B PDK2 2716/4885CA1 2770/4885CA2 1040/4885

“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.