SCHEMBL697890

SCHEMBL697890

COC(=O)c1cccc(CC=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.68
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
SLC7A5 Q01650 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.54
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.51
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
ERN1 O75460 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
SCHEMBL757447 0.87 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL4682498 0.85 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL9623658 0.85 CYP4F2 (0.69) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL21579366 0.84 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL8367820 0.84 LOXL2 (0.60) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL126284 0.84 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL70173 0.84 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL31752875 0.83 CYP4A11 (0.69) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL8710710 0.83 LOXL2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL13601337 0.83 LOXL2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 WO disclosed
EP-0695741-B1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2004-06-16 EP disclosed
US-5731452-A 7-thiaprostaglandins and method of production thereof TEIJIN LIMITED (JP) 1998-03-24 US disclosed
EP-0695741-A1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-02-07 EP disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 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 (7 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-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A LOXL2 3068/4885CYP4F2 1433/4885CYP4A11 1100/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B LOXL2 1632/4885CYP4F2 2223/4885CYP4A11 751/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 LOXL2 3164/4885CYP4F2 2982/4885CYP4A11 3857/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 LOXL2 3164/4885CYP4F2 2982/4885CYP4A11 3857/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 LOXL2 3164/4885CYP4F2 2982/4885CYP4A11 3857/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B LOXL2 3359/4885CYP4F2 1554/4885CYP4A11 1051/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 LOXL2 3164/4885CYP4F2 2982/4885CYP4A11 3857/4885

“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.