SCHEMBL2742898

SCHEMBL2742898

CCOc1c(C)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.32
HSD17B10 Q99714 3/20 0.32
LMNA P02545 1/20 0.32
NQO1 P15559 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL94221 0.86 POLB (0.42) MAPTALDH1A1KDM4EGAAPOLB
Alcohol SCHEMBL2594726 0.78 GAA (0.43) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL14071570 0.76 POLB (0.38) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL16575414 0.74 NQO1 (0.40) ALDH1A1KDM4ETSHRHSD17B10NQO1
SCHEMBL1671594 0.72 GAA (0.43) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL709314 0.72 GAA (0.36) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL8239351 0.72 POLB (0.36) MAPTALDH1A1KDM4EGAAPOLB
Lithium Ion SCHEMBL5016662 0.70 POLB (0.35) MAPTGAAPOLBTSHR
SCHEMBL14518584 0.70 GAA (0.42) MAPTGAAPOLBTSHRLMNA
SCHEMBL2443496 0.70 POLB (0.35) MAPTALDH1A1GAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
CN-117229281-A Di-parallel ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-15 CN disclosed
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-05-24 US disclosed
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2018-03-08 US disclosed
US-9867841-B2 Compounds, compositions and methods using E-selectin antagonists for mobilization of hematopoietic cells GLYCOMIMETICS, INC. (US) 2018-01-16 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20110201794-A1 Disaccharides for drug discovery ALCHEMIA LIMITED (AU) 2011-08-18 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
US-20110009482-A1 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2011-01-13 US disclosed
US-20100022579-A1 SUBSTITUTED TETRAHYDROQUINOLINES Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2010-01-28 US disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 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 (10 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 MAPT 4588/4885ALDH1A1 1721/4885KDM4E 4463/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 MAPT 4618/4885ALDH1A1 1019/4885KDM4E 4760/4885
US-20110201794-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST MAPT 1245/4885ALDH1A1 2021/4885KDM4E 3586/4885
US-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL MAPT 266/4885ALDH1A1 4812/4885KDM4E 3134/4885
US-11820759-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 MAPT 4650/4885ALDH1A1 3679/4885KDM4E 4657/4885
US-20110009482-A1 METHODS OF TREATING COPD CXCR2, AGTR2, LTB4R2 MAPT 4716/4885ALDH1A1 430/4885KDM4E 3847/4885
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 MAPT 4650/4885ALDH1A1 3679/4885KDM4E 4657/4885
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP MAPT 3239/4885ALDH1A1 3541/4885KDM4E 3628/4885
US-20100022579-A1 SUBSTITUTED TETRAHYDROQUINOLINES RECQL, NDUFS3, TPD52L2 MAPT 3974/4885ALDH1A1 1828/4885KDM4E 1089/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R MAPT 2444/4885ALDH1A1 3906/4885KDM4E 3543/4885

“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.