SCHEMBL4361328

SCHEMBL4361328

CCOC(=O)C(C)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
PIN1 Q13526 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CAD P27708 1/20 0.33

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
SCHEMBL3441255 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL141446 0.84 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL8800602 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL28186389 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
Ammonia Solution, Strong SCHEMBL28791130 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
Ethane SCHEMBL9181718 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL5143571 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL2169170 0.77 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL4112176 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL41804 0.77 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881678-A Compound with SHP2 protein degradation activity and medical application thereof 尤比克斯治疗公司 2024-04-12 CN disclosed
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1682534-A2 PYRIMIDIN-4-ONE COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-26 EP disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
US-20050197327-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2005-09-08 US disclosed
WO-2005041888-A2 PYRIMIDIN-4-ONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-05-12 WO disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 WO disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP disclosed
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 EP disclosed
US-5134231-A Chemical intermediates for 1-alkylcarbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0229384-A2 Beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-07-22 EP disclosed
US-4429146-A PRE- AND POSTEMERGENCE GAF CORPORATION (US) 1984-01-31 US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 US 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 (5 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 ALDH1A1 476/4885LMNA 4536/4885HSD17B10 1002/4885
US-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 ALDH1A1 2640/4885LMNA 554/4885HSD17B10 1199/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 ALDH1A1 2640/4885LMNA 554/4885HSD17B10 1199/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 ALDH1A1 603/4885LMNA 4453/4885HSD17B10 989/4885
US-20050197327-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 ALDH1A1 2274/4885LMNA 469/4885HSD17B10 1226/4885

“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.