SCHEMBL2459356

SCHEMBL2459356

N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CISD1 Q9NZ45 1/20 0.49
SLC16A3 O15427 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
SLC16A1 P53985 1/20 0.49
GPR35 Q9HC97 1/20 0.49
LMNA P02545 1/20 0.43

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
SCHEMBL14689450 1.00 EGFR (0.49) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL1722125 0.84 KDM4E (0.55) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL14689252 0.84 EGFR (0.46) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL4659964 0.84 KDM4E (0.55) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL1722127 0.84 KDM4E (0.55) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL2460691 0.84 EGFR (0.46) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL14690026 0.81 EGFR (0.50) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL14690024 0.81 EGFR (0.50) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL2461184 0.81 EGFR (0.44) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL14689817 0.81 EGFR (0.44) EGFRKDM4EALDH1A1CISD1SLC16A3

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-2542897-B1 Use of halogenated cyanocinnamic acid derivatives as matrices in MALDI mass spectrometry SIGMA ALDRICH INTERNAT GMBH (CH) 2015-06-17 EP disclosed
US-20130040395-A1 USE OF HALOGENATED DERIVATIVES OF THE CYANOCINNAMIC ACID AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2013-02-14 US disclosed
EP-2542897-A1 USE OF HALOGENATED CYANOCINNAMIC ACID DERIVATIVES AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2013-01-09 EP disclosed
WO-2011107076-A1 USE OF HALOGENATED CYANOCINNAMIC ACID DERIVATIVES AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2011-09-09 WO 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-20130040395-A1 USE OF HALOGENATED DERIVATIVES OF THE CYANOCINNAMIC ACID AS MATRICES IN MALDI MASS SPECTROMETRY DOHH, DBH, CBR3 EGFR 1800/4885KDM4E 3943/4885ALDH1A1 1588/4885

“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.