SCHEMBL12378924

SCHEMBL12378924

CC(C)(C)OC(=O)NCCCC(=O)NCC#CCO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CAPN1 P07384 1/20 0.45
CYP3A4 P08684 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL10558245 0.84 TDP1 (0.54) TDP1CA1CA2MEN1GAA
SCHEMBL5672931 0.83 CA1 (0.53) TDP1CA1CA2MEN1GAA
SCHEMBL12418238 0.83 TDP1 (0.65) TDP1CA1CA2MEN1GAA
SCHEMBL14952767 0.83 TDP1 (0.60) TDP1CA1CA2MEN1GAA
SCHEMBL659104 0.82 TDP1 (0.52) TDP1CA1CA2MEN1GAA
SCHEMBL3882948 0.81 CAPN1 (0.63) TDP1CA1CA2MEN1GAA
SCHEMBL3884455 0.80 CAPN1 (0.61) TDP1CA1CA2MEN1GAA
SCHEMBL3882611 0.80 CAPN1 (0.61) TDP1CA1CA2MEN1GAA
SCHEMBL3875446 0.80 CAPN1 (0.61) TDP1CA1CA2MEN1GAA
SCHEMBL7207224 0.79 TDP1 (0.69) TDP1CA1CA2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008007-B2 S-adenosyl-L-methionine analogs with extended activated groups for transfer by methyltransferases RWTH AACHEN (DE) 2011-08-30 US disclosed
US-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2009-01-15 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-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES BHMT2, MSRB3, PRMT3 TDP1 3303/4885CA1 2302/4885CA2 2918/4885

“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.