SCHEMBL6603575

SCHEMBL6603575

COc1cc(F)ccc1OCC#Cc1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
EGLN1 Q9GZT9 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PLK1 P53350 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
EGFR P00533 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6330405 0.84 CHRNB2 (0.43) CHRNB2CHRNA4NPC1POLBRAB9A
SCHEMBL6329779 0.77 CHRNB2 (0.45) CHRNB2CHRNA4NPC1POLBRAB9A
SCHEMBL7266190 0.74 GRM5 (0.39) RAB9AEGLN1MEN1KMT2AALDH1A1
SCHEMBL6597369 0.74 GRM5 (0.57) NPC1POLBRAB9AEGLN1MEN1
SCHEMBL6596154 0.72 GRM5 (0.40) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL6598860 0.70 MEN1 (0.50) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL29679102 0.70 MEN1 (0.50) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL22241820 0.69 PDE10A (0.53) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4764816 0.68 MRGPRX4 (0.41) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL6814044 0.67 ALDH1A1 (0.38) POLBMEN1KMT2AALDH1A1MAPT

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-20040248739-A1 Pyridylpropynyloxyphenyl derivatives for use as herbicides SCHAETZER JURGEN (CH) 2004-12-09 US disclosed
EP-1414301-A1 PYRIDYLPROPYNYLOXYPHENYL DERIVATIVES FOR USE AS HERBICIDES Syngenta Participations AG (CH) 2004-05-06 EP disclosed
WO-2003013247-A1 PYRIDYLPROPYNYLOXYPHENYL DERIVATIVES FOR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-02-20 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-20040248739-A1 Pyridylpropynyloxyphenyl derivatives for use as herbicides DDT, CYP4X1, CHRM1 CHRNB2 1200/4885CHRNA4 605/4885NPC1 4413/4885

“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.