SCHEMBL678129

SCHEMBL678129

C#COP(=O)(OC#C)Oc1nc(Cl)c(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10109424 0.81 TDP1 (0.64) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL20832256 0.80 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1CYP3A4
Fospirate SCHEMBL30538657 0.78 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1CYP3A4
Fospirate SCHEMBL6736860 0.78 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1CYP3A4
Fospirate SCHEMBL117867 0.78 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorphrifos Oxon SCHEMBL30674408 0.74 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorphrifos Oxon SCHEMBL1168184 0.74 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL16506502 0.74 TDP1 (0.54) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL990015 0.71 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL20835090 0.70 TDP1 (0.38) TDP1MEN1KMT2AALDH1A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US 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-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 TDP1 4212/4885MEN1 4010/4885KMT2A 3689/4885

“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.