SCHEMBL25818192

SCHEMBL25818192

CNCCC(O)c1cccc(OCCC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GALR3 O60755 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
AOC3 Q16853 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 2/20 0.41
TSHR P16473 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL25818187 0.88 AOC3 (0.50) KDM4EGALR3HSP90AA1NR1H4AOC3
SCHEMBL29818907 0.86 AOC3 (0.46) KDM4EGALR3HSP90AA1NR1H4AOC3
SCHEMBL2207386 0.86 AOC3 (0.46) KDM4EGALR3HSP90AA1NR1H4AOC3
SCHEMBL4568798 0.85 TSHR (0.47) KDM4EALDH1A1SMN1; SMN2GALR3HSP90AA1
SCHEMBL25823428 0.82 L3MBTL1 (0.49) KDM4ENSD2ALDH1A1SMN1; SMN2AOC3
SCHEMBL16572775 0.82 CYSLTR2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL19407140 0.81 AOC3 (0.61) KDM4EAOC3SLC6A4
SCHEMBL13881797 0.81 HTR1B (0.58) KDM4ENSD2ALDH1A1SMN1; SMN2GALR3
SCHEMBL19291383 0.81 AOC3 (0.38) GALR3HSP90AA1NR1H4AOC3
SCHEMBL25821837 0.80 KDM4E (0.46) KDM4EAOC3SLC6A4

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 KDM4E 2227/4885NSD2 2986/4885ALDH1A1 133/4885

“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.