SCHEMBL25822210

SCHEMBL25822210

CCC(CC)COc1cccc(O[C@H](C)CNC)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MTNR1A P48039 13/20 0.45
MTNR1B P49286 13/20 0.45
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 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
SCHEMBL19291521 1.00 KDM4E (0.49) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL25822216 0.89 KDM4E (0.47) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL13881608 0.89 KDM4E (0.47) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL25822208 0.87 MTNR1A (0.44) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL25818072 0.87 MTNR1A (0.44) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL4569077 0.87 MTNR1A (0.44) KDM4EMTNR1AMTNR1BGPBAR1CYSLTR1
SCHEMBL4569079 0.87 MTNR1A (0.44) KDM4EMTNR1AMTNR1BGPBAR1CYSLTR1
SCHEMBL19291587 0.87 KDM4E (0.39) KDM4ENSD2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL4568807 0.86 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1BGPBAR1
SCHEMBL4568788 0.86 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1BGPBAR1

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.