SCHEMBL25822303

SCHEMBL25822303

NNCCOc1cccc(OCCCC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NSD2 O96028 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PDK2 Q15119 1/20 0.46
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE3B Q13370 1/20 0.43

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
SCHEMBL8901248 0.86 KDM4E (0.62) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL4572134 0.86 KDM4E (0.48) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL25822284 0.85 KDM4E (0.51) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL3968441 0.85 MTNR1A (0.54) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL25822296 0.84 CYP2D6 (0.49) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL29818781 0.82 TAAR1 (0.50) SMN1; SMN2PDK2PRSS1MEN1KMT2A
SCHEMBL2206953 0.82 TAAR1 (0.50) SMN1; SMN2PDK2PRSS1MEN1KMT2A
SCHEMBL4569111 0.81 KDM4E (0.47) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL4568923 0.81 KMT2A (0.59) SMN1; SMN2ALDH1A1KMT2AMAPK1TDP1
SCHEMBL13881805 0.80 MTNR1A (0.49) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2

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.