SCHEMBL6830291

SCHEMBL6830291

COc1cc(Cl)cnc1OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.40
CHRM2 P08172 1/20 0.40
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.38
EGLN1 Q9GZT9 5/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL6329779 0.88 CHRNB2 (0.45) MELKKCNH2EGLN1EGLN3RXRA
SCHEMBL6339239 0.81 GRM5 (0.39) MELKGRM5RXRAGRIN1GRIN2B
SCHEMBL6328488 0.77 HTT (0.41) RXRAGRIN1GRIN2BLMNACYP2C9
SCHEMBL6330405 0.76 CHRNB2 (0.43) MELKEGLN1EGFR
SCHEMBL6332341 0.74 GRM5 (0.42) GRM5EGFR
SCHEMBL2432983 0.72 SMN1; SMN2 (0.47) RXRAGRIN1GRIN2BLMNACYP2C9
SCHEMBL6227834 0.72 KDM4E (0.55) LMNATSHRAPEX1
SCHEMBL4764816 0.71 MRGPRX4 (0.41) KCNH2LMNASMN1; SMN2
SCHEMBL12016065 0.70 LMNA (0.46) CHRM2GRM5KCNH2LMNACYP2C9
SCHEMBL14619120 0.70 KMT2A (0.44) SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102325-A1 Phenylpropynyloxypyridine herbicides SYNGENTA CROP PROTECTION, INC. 2004-05-27 US disclosed
EP-1370140-A1 PHENYLPROPYNYLOXYPYRIDINE HERBICIDES Syngenta Participations AG (CH) 2003-12-17 EP disclosed
WO-2002028182-A1 PHENYLPROPYNYLOXYPYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-04-11 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-20040102325-A1 Phenylpropynyloxypyridine herbicides DDT, GSTM1, CYP4X1 MELK 2138/4885CHRM2 30/4885GRM5 766/4885

“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.