SCHEMBL1224101

SCHEMBL1224101

COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.75
SLC5A2 P31639 6/20 0.75
HPGD P15428 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
MAPT P10636 4/20 0.68
GAA P10253 4/20 0.68
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 3/20 0.68
ATM Q13315 2/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
MAPK1 P28482 2/20 0.64
PIK3CA P42336 1/20 0.64
PKM P14618 1/20 0.57
CYP19A1 P11511 2/20 0.57

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
SCHEMBL3408341 0.91 LMNA (0.69) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL3408972 0.89 NFKB1 (0.61) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL5622859 0.86 NFKB1 (0.62) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL457127 0.86 SLC5A1 (1.00) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL5623783 0.85 NFKB1 (0.61) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL5036945 0.83 MAPT (0.77) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL11628971 0.81 SLC5A1 (0.71) SLC5A1SLC5A2HPGDMEN1KMT2A
Ononetin SCHEMBL2948430 0.81 NPC1 (1.00) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL1245802 0.81 GAA (0.83) SLC5A1SLC5A2HPGDMEN1KMT2A
SCHEMBL3965268 0.81 GAA (0.83) SLC5A1SLC5A2HPGDMEN1KMT2A

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005054169-A1 PREPARATION METHOD OF 2-PHENYLACETOPHENONE DERIVATIVES HANBUL COSMETIC CO., LTD. (KR) 2005-06-16 WO claimed
US-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2025-03-13 US disclosed
WO-2023278394-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2023-01-05 WO disclosed
EP-3024489-B1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA-2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-19 EP disclosed
EP-2961407-B1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH 2 ADRENERGIC RECEPTOR AGONIST AND M3 MUSCARINIC RECEPTOR ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2018-04-11 EP disclosed
WO-2017076990-A1 ADDITION SALTS OF N-[4-(4-{[(1S)-1-(5-METHYL-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)ETHYL]AMINO}-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-1H-INDOL-6-YL]SULFAMIDE ALMIRALL, S.A. (ES) 2017-05-11 WO disclosed
US-9579316-B2 Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2(1H)-one derivatives having both muscarinic receptor antagonist and β2 adrenergic receptor agonist activities ALMIRALL, S.A. (ES) 2017-02-28 US disclosed
US-9562039-B2 Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2(1H)-one derivatives having both β2 adrenergic receptor agonist and M3 muscarinic receptor antagonist activities ALMIRALL, S.A. (ES) 2017-02-07 US disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20160166566-A1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-06-16 US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP disclosed
WO-2009132774-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S. A. (ES) 2009-11-05 WO disclosed
EP-2113503-A1 New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-11-04 EP disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 WO disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2005054169-A1 PREPARATION METHOD OF 2-PHENYLACETOPHENONE DERIVATIVES HANBUL COSMETIC CO., LTD. (KR) 2005-06-16 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 (3 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-20160166566-A1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ADRB2, ADRA2C, ADRA2A SLC5A1 465/4885SLC5A2 174/4885HPGD 1192/4885
US-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF PGC, SLC5A6, PUF60 SLC5A1 207/4885SLC5A2 70/4885HPGD 1526/4885
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 SLC5A1 1176/4885SLC5A2 751/4885HPGD 459/4885

“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.