SCHEMBL16124674

SCHEMBL16124674

CCCCC(=O)OCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRKCA P17252 3/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
P2RY10 O00398 3/20 0.41
GPR174 Q9BXC1 3/20 0.41
GPR34 Q9UPC5 2/20 0.41
DGKA P23743 1/20 0.41
LPAR6 P43657 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
SCHEMBL28004490 0.83 NOS1 (0.34) ALDH1A1
SCHEMBL2519906 0.81 GAA (0.37) TDP1MEN1KMT2A
SCHEMBL13416978 0.81 MAPT (0.32) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL8005990 0.80 NOS1 (0.34)
SCHEMBL29270950 0.80 MAPT (0.51) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL3308937 0.79 CA12 (0.32) MAPTLMNAALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28779653 0.78 DGKA (0.46) MAPTALDH1A1CYP3A4TSHRATM
SCHEMBL5967210 0.78 SLC1A2 (0.46)
SCHEMBL7266730 0.78 SLC1A2 (0.46)
SCHEMBL2519909 0.77 MEN1 (0.36) TDP1MEN1KMT2A

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 MAPT 2611/4885LMNA 4506/4885ALDH1A1 360/4885

“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.