SCHEMBL3935138

SCHEMBL3935138

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nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.31
ALOX15 P16050 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18095072 0.85 L3MBTL1 (0.49) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL3945920 0.81 TDP1 (0.39) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL3940848 0.81 TDP1 (0.39) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL3940851 0.81 TDP1 (0.39) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL3936241 0.81 TDP1 (0.39) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL3935146 0.79 TDP1 (0.40) TDP1MEN1KMT2APOLB
SCHEMBL8752092 0.74 ALDH1A1 (0.43) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3942863 0.74 GRIK1 (0.44) TDP1
SCHEMBL3935612 0.73 TDP1 (0.40) TDP1MEN1KMT2APOLB
SCHEMBL3935620 0.73 TDP1 (0.40) TDP1MEN1KMT2APOLB

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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2008-01-24 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TDP1 945/4885L3MBTL1 4749/4885ALDH1A1 3194/4885

“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.