SCHEMBL4194790

SCHEMBL4194790

CC(=COc1cccc2ccccc12)C(=O)OCCCOc1ccc(Br)cc1OCCCOC(=O)C(C)=COc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MCL1 Q07820 3/20 0.41
SLC6A4 P31645 2/20 0.40
HRH1 P35367 1/20 0.40
BACE1 P56817 2/20 0.39
HTR1B P28222 4/20 0.38
HTR1D P28221 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
CYP2C9 P11712 1/20 0.36
KCNA3 P22001 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL4202076 0.91 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL4204685 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL4194788 0.85 KCNA3 (0.45) KDM4EALDH1A1HPGDSLC6A4HRH1
SCHEMBL4191430 0.85 KCNA3 (0.47) KDM4EALDH1A1HPGDSLC6A4HRH1
SCHEMBL4194269 0.82 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL4197515 0.82 KCNA3 (0.44) KDM4EALDH1A1HPGDSLC6A4HRH1
SCHEMBL4202738 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL4191185 0.80 KCNA3 (0.43) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL20603900 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDMCL1SLC6A4
SCHEMBL4204704 0.77 KDM4E (0.40) KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627867-B1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2016-01-20 EP disclosed
US-7534909-B2 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2009-05-19 US disclosed
US-20070078198-A1 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-04-05 US disclosed
EP-1627867-A1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-02-22 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 (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-20070078198-A1 (Meth) acrylic ester compound and use thereof METTL14, PAM, TAS2R41 KDM4E 270/4885ALDH1A1 568/4885HPGD 1066/4885

“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.