SCHEMBL4690513

SCHEMBL4690513

CC(C)(C)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 1/20 0.41
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL30807400 0.91 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL23014550 0.87 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3630096 0.86 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.85 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4064231 0.84 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14862502 0.84 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30635332 0.82 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31409735 0.82 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.82 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30274882 0.82 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930756-A Preparation method of dual receptor agonist of GIP and GLP-1 博瑞生物医药(苏州)股份有限公司 2025-05-06 CN disclosed
CN-117510377-A Synthesis method of N alpha-fluorenylmethoxycarbonyl-glutamic acid-alpha-tert-butyl ester 常州吉恩药业有限公司 2024-02-06 CN disclosed
CN-112851536-B Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2022-02-25 CN disclosed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7084270-B2 Pyrimido compounds having antiproliferative activity HOFFMAN-LA ROCHE INC. (US) 2006-08-01 US disclosed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO disclosed
US-20040038995-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-02-26 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 (1 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-20040038995-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FGFR3 KMT2A 1309/4885FABP5 2330/4885FABP7 1670/4885

“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.