SCHEMBL25820408

SCHEMBL25820408

CNCCOc1cccc(OCCCC(=O)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.56
NSD2 O96028 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2D6 P10635 4/20 0.50
KCNH2 Q12809 4/20 0.49
HTR1B P28222 2/20 0.49
HTR1D P28221 1/20 0.49
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY12 Q9H244 1/20 0.47
PDK2 Q15119 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL25822296 0.88 CYP2D6 (0.49) KDM4EALDH1A1NSD2SMN1; SMN2CYP2D6
SCHEMBL4568926 0.84 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2CYP2D6KCNH2
SCHEMBL25822288 0.84 KDM4E (0.62) KDM4EALDH1A1NSD2SMN1; SMN2CYP2D6
SCHEMBL8901248 0.84 KDM4E (0.62) KDM4EALDH1A1NSD2SMN1; SMN2CYP2D6
SCHEMBL25823443 0.83 CACNA1B (0.48) KDM4EALDH1A1NSD2SMN1; SMN2CYP2D6
SCHEMBL25820387 0.83 KDM4E (0.60) KDM4EALDH1A1NSD2SMN1; SMN2HTR1B
SCHEMBL2205020 0.83 PDK2 (0.49) KDM4EALDH1A1SMN1; SMN2CYP2D6KCNH2
SCHEMBL29818912 0.83 PDK2 (0.49) KDM4EALDH1A1SMN1; SMN2CYP2D6KCNH2
SCHEMBL2209225 0.81 CA12 (0.50) CYP2D6KCNH2MTNR1AMTNR1BPDK2
SCHEMBL19485437 0.81 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2CYP2D6LMNACYP1A2

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 2227/4885ALDH1A1 133/4885NSD2 2986/4885

“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.