SCHEMBL13523926

SCHEMBL13523926

C=CCOC(=O)C(C)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 8/20 0.49
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 2/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 6/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL15255352 0.96 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL2742774 0.86 KMT2A (0.49) MEN1KMT2AGAATDP1CA1
SCHEMBL13464451 0.86 KMT2A (0.49) MEN1KMT2AGAATDP1CA1
Hydrochloric Acid SCHEMBL28852622 0.85 KMT2A (0.48) MEN1KMT2AGAATDP1CA1
SCHEMBL14871948 0.84 MEN1 (0.59) MEN1KMT2AGAATDP1CA1
SCHEMBL11916883 0.83 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL19864338 0.83 MEN1 (0.58) MEN1KMT2AGAATDP1CA1
SCHEMBL14930702 0.82 KDM4E (0.44) TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL1276827 0.82 TDP1 (0.54) MEN1KMT2AGAATDP1CA1
SCHEMBL11916880 0.81 MEN1 (0.52) MEN1KMT2AGAATDP1CA1

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-7642344-B2 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2010-01-05 US disclosed
US-20080009613-A1 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2008-01-10 US disclosed
US-7247434-B2 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2007-07-24 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-20080009613-A1 Methods and compositions for determining the sequence of nucleic acid molecules CPSF6, RNMT, POLM MEN1 3916/4885KMT2A 1215/4885GAA 1616/4885

“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.