SCHEMBL6320562

SCHEMBL6320562

C[Si](C)(C)C#Cc1cccc(Oc2ccccc2Oc2cccc(C#C[Si](C)(C)C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GRM5 P41594 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRM1 Q13255 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
SCHEMBL10563916 0.85 F2 (0.39) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4155842 0.80 GRM5 (0.38) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL6323498 0.78 ASIC3 (0.35) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL6861227 0.77 GRM5 (0.42) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL6323057 0.77 KDM4E (0.39) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31471018 0.76 MAPK8 (0.43) GRM5NPC1RAB9AALDH1A1GABRA5
SCHEMBL31546695 0.76 GRM5 (0.35) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL21827566 0.76 MAPK8 (0.43) GRM5NPC1RAB9AALDH1A1GABRA5
SCHEMBL31546840 0.75 GRM5 (0.35) KDM4EGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL31546688 0.73 SLC6A2 (0.35) KDM4EGRM5NPC1RAB9ASMN1; 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
US-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines WYETH 2003-04-17 US claimed
EP-1238586-A1 Herbicidal 2-alkynyl-pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP claimed
US-6872690-B2 Herbicidal 2-alkynyl-pyri (mi) dines WYETH (US) 2005-03-29 US disclosed
US-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines WYETH 2003-04-17 US disclosed
EP-1238586-A1 Herbicidal 2-alkynyl-pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 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-20030073581-A1 Herbicidal 2-alkynyl-pyri (mi) dines DDT, AOX1, RIOX2 KDM4E 852/4885GRM5 866/4885NPC1 3943/4885

“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.