SCHEMBL25822229

SCHEMBL25822229

CNCCOc1cccc(OCCCCOC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTR1B P28222 2/20 0.59
HTR1D P28221 1/20 0.59
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.55
NSD2 O96028 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 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
SCHEMBL19291509 0.97 CYP1A2 (0.67) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL13881609 0.91 HTR1B (0.61) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL13862468 0.88 KDM4E (0.56) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL13862300 0.87 KDM4E (0.54) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL25822245 0.86 HTR1B (0.59) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL6651953 0.86 MTNR1A (0.64) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL19291375 0.85 KDM4E (0.58) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL25822227 0.85 CYP1A2 (0.65) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL7237757 0.84 HTR1B (0.65) CYP1A2CYP2D6MAPK1CYP2C19HTR1B
SCHEMBL13881784 0.83 KDM4E (0.57) CYP1A2CYP2D6MAPK1CYP2C19HTR1B

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 CYP1A2 2835/4885CYP2D6 3632/4885MAPK1 2460/4885

“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.