SCHEMBL25822263

SCHEMBL25822263

CCCOc1cccc(OCCNN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
DHFR P00374 1/20 0.43
NSD2 O96028 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL25822241 0.90 TSHR (0.61) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
1,3-Dipropoxybenzene SCHEMBL73716 0.84 KMT2A (0.63) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822276 0.84 MAPK1 (0.58) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL8088241 0.84 HTR1B (0.63) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822164 0.83 CYP1A2 (0.43) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822227 0.83 CYP1A2 (0.65) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822233 0.83 CYP1A2 (0.65) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL25822184 0.82 MAPK1 (0.46) CYP1A2CYP2D6MAPK1CYP2C19KMT2A
SCHEMBL11455127 0.82 DRD2 (0.64) MAPK1KMT2AKDM4EDRD2DRD4
SCHEMBL25822195 0.81 GALR3 (0.49) CYP1A2CYP2D6MAPK1CYP2C19KMT2A

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.