SCHEMBL3737616

SCHEMBL3737616

CC(C)(C)OC(=O)N(CCC(=O)O)C(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
SYK P43405 1/20 0.41
HTT P42858 1/20 0.40
AKT1 P31749 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL1626511 0.87 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL3737611 0.84 HDAC3 (0.46) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL3742299 0.84 EPHX2 (0.43) L3MBTL1ALDH1A1HTTMEN1MAPT
SCHEMBL31170532 0.83 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL27003934 0.81 HDAC3 (0.45) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL29077734 0.79 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL7332893 0.79 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPK1SYKMEN1
SCHEMBL28956076 0.79 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL20089220 0.78 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1MAPK1SYK
SCHEMBL9787659 0.77 POLB (0.45) POLBMAPT

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-8710000-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-04-29 US disclosed
US-20100279931-A1 Insulin Derivative NOVO NORDISK A/S 2010-11-04 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-20100279931-A1 Insulin Derivative IAPP, INSR, GPR119 L3MBTL1 4749/4885SMN1; SMN2 2683/4885ALDH1A1 3984/4885

“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.