SCHEMBL21164893

SCHEMBL21164893

CN(CC(=O)O)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4323487 1.00 ALDH1A1 (0.47) ALDH1A1
SCHEMBL2796886 0.98 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1513993 0.93
SCHEMBL27385676 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13209127 0.83 PIK3CD (0.50) ALDH1A1
SCHEMBL13209101 0.83 GABRA5 (0.40) ALDH1A1
SCHEMBL8852101 0.83 ITGB3 (0.37) ALDH1A1
SCHEMBL8925941 0.81 KDM4E (0.49) ALDH1A1
SCHEMBL10153912 0.80 PLG (0.47) ALDH1A1
SCHEMBL7805428 0.79 ALDH1A1 (0.42) ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 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 (2 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-10351595-B2 MRPL21, PRSS1, PEPD ALDH1A1 2620/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC ALDH1A1 2364/4885

“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.