SCHEMBL4624147

SCHEMBL4624147

Oc1cc(Cl)c(OCCCOc2ccc(C(F)(F)F)cn2)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.34
GABRA5 P31644 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MGLL Q99685 2/20 0.34
SCN9A Q15858 2/20 0.34
LIPE Q05469 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7071031 0.92 KMT2A (0.46) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7073751 0.89 MRGPRX4 (0.47) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7076311 0.88 MRGPRX4 (0.46) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7078746 0.88 MRGPRX4 (0.46) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7073314 0.88 KMT2A (0.47) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7073758 0.86 KMT2A (0.41) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7072961 0.84 MRGPRX4 (0.43) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7071231 0.82 L3MBTL1 (0.48) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL4624909 0.81 KMT2A (0.36) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2
SCHEMBL7078903 0.79 L3MBTL1 (0.48) KMT2AMRGPRX4L3MBTL1MAPK1SMN1; SMN2

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-1446375-B1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE SA (FR) 2008-05-14 EP disclosed
US-6949551-B2 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2005-09-27 US disclosed
EP-1446375-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience S.A. (FR) 2004-08-18 EP disclosed
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides MERIAL, INC. 2004-02-12 US disclosed
WO-2003042147-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE S.A. (FR) 2003-05-22 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-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides DDT, CBR1, CBR3 KMT2A 2907/4885MRGPRX4 3826/4885L3MBTL1 867/4885

“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.