SCHEMBL3030945

SCHEMBL3030945

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 1.00
ALDH1A1 P00352 4/20 0.76
KDM4E B2RXH2 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
TSHR P16473 2/20 0.76
HPGD P15428 3/20 0.72
LMNA P02545 2/20 0.72
HSD17B10 Q99714 2/20 0.72
GAA P10253 1/20 0.72
CACNA1D Q01668 3/20 0.68
CACNA1F O60840 1/20 0.68
CACNA1S Q13698 1/20 0.68
CACNA1C Q13936 1/20 0.68
NPSR1 Q6W5P4 3/20 0.68
ADORA3 P0DMS8 2/20 0.66
MAPT P10636 1/20 0.58
TP53 P04637 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55

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
SCHEMBL13216055 0.93 ABCC1 (0.86) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL7817206 0.92 KDM4E (0.88) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3032293 0.88 KDM4E (0.80) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL7368284 0.86 KDM4E (1.00) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL11452241 0.86 ABCC1 (0.74) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3017205 0.85 KDM4E (0.76) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3029762 0.85 KDM4E (0.76) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3022545 0.85 ABCC1 (0.74) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL10895180 0.84 CACNA1F (0.76) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3027412 0.84 ADORA3 (0.89) ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483563-B Preparation method and application of novel ionic beta-naphthoic aldehyde Schiff base zirconium complex 山西医科大学 2021-12-28 CN disclosed
CN-110683984-A Method for ultrasonically oxidizing hanster 1, 4-dihydropyridine derivative 阜阳师范大学 2020-01-14 CN disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ABCC1 757/4885ALDH1A1 3749/4885KDM4E 4629/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885ALDH1A1 3939/4885KDM4E 4759/4885

“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.