SCHEMBL25822227

SCHEMBL25822227

COCCCCOc1cccc(OCCNN)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
TSHR P16473 1/20 0.45
DRD3 P35462 1/20 0.44
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1B P28222 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
SCHEMBL25822233 0.97 CYP1A2 (0.65) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL25822276 0.92 MAPK1 (0.58) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL25822241 0.87 TSHR (0.61) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822229 0.85 CYP1A2 (0.67) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL25821806 0.83 KDM4E (0.56) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL25822263 0.83 CYP1A2 (0.51) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL19291509 0.81 CYP1A2 (0.67) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL29818899 0.81 MAPK1 (0.57) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL2206381 0.81 MAPK1 (0.57) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL11455127 0.79 DRD2 (0.64) MAPK1KDM4EALDH1A1KMT2AMEN1

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.