SCHEMBL2423922

SCHEMBL2423922

N[C@H]1CCOC(=O)CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.31

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
SCHEMBL787355 0.88 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
Homoserine Lactone SCHEMBL79968 0.87
Homoserine Lactone SCHEMBL79466 0.87
Homoserine Lactone SCHEMBL79969 0.87
SCHEMBL731550 0.87 TSHR (0.32) ALDH1A1LMNATP53TSHR
Homoserine Lactone SCHEMBL28275156 0.86 CA1 (0.48) ALDH1A1LMNATP53TSHRCA1
SCHEMBL3661549 0.85 ALDH1A1 (0.42) ALDH1A1LMNATP53TSHRCA1
Homoserine Lactone SCHEMBL1147212 0.84
Homoserine Lactone SCHEMBL7217249 0.84
Homoserine Lactone SCHEMBL1402931 0.84

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-8865920-B2 N-acylation of amines NOVUS INTERNATIONAL, INC. (US) 2014-10-21 US disclosed
US-20130012728-A1 N-ACYLATION OF AMINES NOVUS INTERNATIONAL INC. (US) 2013-01-10 US disclosed
WO-2011112648-A1 N-ACYLATION OF AMINES NOVUS INTERNATIONAL INC. (US) 2011-09-15 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-20130012728-A1 N-ACYLATION OF AMINES NAAA, AANAT, NAA50 ALDH1A1 910/4885LMNA 1863/4885TP53 4755/4885

“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.