SCHEMBL17978693

SCHEMBL17978693

O=C(O)C(O)(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.55
▸ KIF11 P52732 5/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL17978820 1.00 CYP2C9 (0.55) CYP2C9KIF11CA12CA2CA9
SCHEMBL17979123 1.00 CYP2C9 (0.55) CYP2C9KIF11CA12CA2CA9
SCHEMBL29631326 1.00 CYP2C9 (0.55) CYP2C9KIF11CA12CA2CA9
SCHEMBL7758237 0.86 CYP2C9 (0.57) CYP2C9KIF11CA12CA2CA9
SCHEMBL20307229 0.85 CYP3A4 (0.43) CYP2C9KIF11CYP2D6CYP3A4
SCHEMBL18557594 0.85 CYP3A4 (0.43) CYP2C9KIF11CYP2D6CYP3A4
Benzylic Acid SCHEMBL7066 0.83 CYP2C9 (0.74) CYP2C9CYP2D6HIF1ALMNAALDH1A1
SCHEMBL19770150 0.81 KCNN4 (0.51) KIF11CYP2D6LMNAALDH1A1HTT
SCHEMBL18016307 0.81 KCNN4 (0.51) KIF11CYP2D6LMNAALDH1A1HTT
Benzylic Acid SCHEMBL633586 0.81 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP disclosed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 — — CN disclosed
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 — — US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 — — US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 — — US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — US disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — WO disclosed
EP-3256464-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2017-12-20 — — EP disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 — — US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — US disclosed
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — WO 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 (5 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CYP2C9 1739/4885KIF11 2933/4885CA12 2180/4885
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CYP2C9 1422/4885KIF11 2258/4885CA12 2008/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CYP2C9 1422/4885KIF11 2258/4885CA12 2008/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CYP2C9 1739/4885KIF11 2933/4885CA12 2180/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CYP2C9 1422/4885KIF11 2258/4885CA12 2008/4885

“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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