SCHEMBL25822216

SCHEMBL25822216

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MTNR1A P48039 13/20 0.45
MTNR1B P49286 13/20 0.45
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL13881608 1.00 KDM4E (0.47) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL19291587 0.90 KDM4E (0.39) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL19291521 0.89 KDM4E (0.49) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL25822210 0.89 KDM4E (0.49) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL25818089 0.88 MTNR1A (0.44) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL25822212 0.88 MTNR1A (0.44) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL4568804 0.86 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1BGPBAR1
SCHEMBL4568789 0.86 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1BGPBAR1
SCHEMBL4081168 0.85 MTNR1A (0.53) KDM4EMTNR1AMTNR1BNSD2ALDH1A1
SCHEMBL2205575 0.83 GPBAR1 (0.41) 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 2227/4885MTNR1A 93/4885MTNR1B 92/4885

“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.