SCHEMBL25818187

SCHEMBL25818187

CC(C)CCOc1cccc(C(O)CCNN)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
GALR3 O60755 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL25818192 0.88 KDM4E (0.46) AOC3GALR3HSP90AA1NR1H4MEN1
SCHEMBL2207386 0.88 AOC3 (0.46) AOC3GALR3HSP90AA1NR1H4TDP1
SCHEMBL29818907 0.88 AOC3 (0.46) AOC3GALR3HSP90AA1NR1H4TDP1
SCHEMBL25821909 0.86 AOC3 (0.52) AOC3L3MBTL1KDM4E
SCHEMBL25821873 0.86 AOC3 (0.52) AOC3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4568798 0.83 TSHR (0.47) AOC3GALR3HSP90AA1NR1H4MEN1
SCHEMBL19291383 0.82 AOC3 (0.38) AOC3GALR3HSP90AA1NR1H4
SCHEMBL25822195 0.82 GALR3 (0.49) GALR3HSP90AA1NR1H4MEN1KMT2A
SCHEMBL25821996 0.80 CACNA1B (0.47) AOC3KDM4E
SCHEMBL2206335 0.77 NR1H4 (0.44) AOC3GALR3HSP90AA1NR1H4MEN1

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER AOC3 183/4885GALR3 101/4885HSP90AA1 2896/4885

“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.