SCHEMBL4690511

SCHEMBL4690511

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
EPHX2 P34913 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CASP3 P42574 1/20 0.40
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL31047777 0.87 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL28458423 0.87 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL26941528 0.87 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27872882 0.87 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8178563 0.86 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8013142 0.86 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31540857 0.85 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4263538 0.85 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4284636 0.84 KMT2A (0.46) KMT2AFABP5FABP7EPHX2CA1
Hydrochloric Acid SCHEMBL31540856 0.84 KMT2A (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.