SCHEMBL1281769

SCHEMBL1281769

Oc1ccccc1Cn1ccnn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.58
KCNMA1 Q12791 2/20 0.48
MPO P05164 2/20 0.47
CYP2C19 P33261 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HSPA5 P11021 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Water SCHEMBL1982280 0.98 CYP19A1 (0.56) CYP19A1KCNMA1MPOCYP2C19PTGDR2
SCHEMBL28263864 0.87 CYP19A1 (0.68) CYP19A1PTGDR2
SCHEMBL6781834 0.79 CYP19A1 (0.42) CYP19A1MPOCYP2C19TSHRKDM4E
SCHEMBL9125316 0.79 CYP19A1 (0.58) CYP19A1PTGDR2
SCHEMBL305310 0.79 CYP19A1 (0.58) CYP19A1PTGDR2
SCHEMBL8801557 0.79 CYP19A1 (0.58) CYP19A1PTGDR2
SCHEMBL6712996 0.79 CYP19A1 (0.58) CYP19A1PTGDR2
SCHEMBL12468869 0.79 CYP19A1 (0.70) CYP19A1CYP2C19CYP2D6KDM4E
SCHEMBL11128645 0.79 CYP19A1 (0.70) CYP19A1CYP2C19
SCHEMBL10603653 0.77 CYP19A1 (0.56) CYP19A1CYP2C19PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 US disclosed
US-12016952-B2 Methods of preparing a monodisperse oligo(ethylene glycol) reagent composition NEKTAR THERAPEUTICS (US) 2024-06-25 US disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-11834553-B2 Alkoxylation methods NEKTAR THERAPEUTICS (US) 2023-12-05 US disclosed
CN-116650424-A Novel polypeptide formulations and therapeutic uses thereof 鸿绪生物医药科技(北京)有限公司 2023-08-29 CN disclosed
CN-112638426-B Aromatic nitro-based linker, antibody conjugated drug containing linker and use of linker 中国人民解放军军事科学院军事医学研究院 2023-06-16 CN disclosed
US-11672776-B2 Multi-arm polymeric alkanoate conjugates NEKTAR THERAPEUTICS (US) 2023-06-13 US disclosed
EP-0018901-B1 IMMUNOLOGICALLY ACTIVE PEPTIDYL DISACCHARIDES, METHODS OF PREPARATION AND VACCINE MERCK & CO. INC. (US) 1982-12-15 EP disclosed
EP-0014159-B1 IMMUNOLOGICALLY ACTIVE DIPEPTIDYL SACCHARIDES AND METHODS OF PREPARATION MERCK & CO. INC. (US) 1982-07-14 EP disclosed
EP-0054862-A1 Substituted dipeptides, processes for their preparation and pharmaceutical compositions containing them and their use in the inhibition of enkephalinase SCHERING CORPORATION (US) 1982-06-30 EP disclosed
US-4315913-A BACTERICIDES, VIRICIDES, PARASITICIDES VACCINE MERCK & CO. INC. (US) 1982-02-16 US disclosed
US-4310514-A VACCINES MERCK & CO., INC. (US) 1982-01-12 US disclosed
EP-0041896-A1 Immunologically active dipeptidyl 2-amino-1,2-dideoxy-D-glucose derivatives and methods of preparation MERCK & CO. INC. (US) 1981-12-16 EP disclosed
EP-0039637-A1 Immunologically active dipeptidyl 5-0,6-0-acyl-2-amino-2-deoxy-D-glucofuranose derivatives and methods of preparation MERCK & CO. INC. (US) 1981-11-11 EP disclosed
EP-0038750-A1 Immunologically active dipeptidyl 4-0-, 6-0-acyl-2-amino-2-deoxy-D-glucose derivatives and methods for their preparation MERCK & CO. INC. (US) 1981-10-28 EP disclosed
US-4256735-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-17 US disclosed
EP-0018901-A1 Immunologically active peptidyl disaccharides, methods of preparation and vaccine MERCK & CO. INC. (US) 1980-11-12 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 CYP19A1 4053/4885KCNMA1 345/4885MPO 3956/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 CYP19A1 4053/4885KCNMA1 345/4885MPO 3956/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 CYP19A1 4092/4885KCNMA1 337/4885MPO 3887/4885
US-11672776-B2 Multi-arm polymeric alkanoate conjugates ALK, ALKBH3, PAICS CYP19A1 1448/4885KCNMA1 3559/4885MPO 2429/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 CYP19A1 2591/4885KCNMA1 1233/4885MPO 2724/4885
US-11834553-B2 Alkoxylation methods ALK, ALKBH3, SLC10A1 CYP19A1 1066/4885KCNMA1 3974/4885MPO 422/4885
US-12016952-B2 Methods of preparing a monodisperse oligo(ethylene glycol) reagent composition POLM, OGG1, COPE CYP19A1 4512/4885KCNMA1 3316/4885MPO 1580/4885

“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.