SCHEMBL25819946

SCHEMBL25819946

CNCCCc1cccc(OCCCOCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
HTR1B P28222 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HTR1D P28221 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL25820053 0.96 BCHE (0.52) BCHEHTR1BMEN1KMT2AKDM4E
SCHEMBL13881850 0.95 BCHE (0.53) BCHEHTR1BMEN1KMT2AKDM4E
SCHEMBL25822256 0.88 HTR1B (0.58) HTR1BKDM4EL3MBTL1DRD2DRD4
SCHEMBL25819935 0.88 MEN1 (0.62) BCHEHTR1BMEN1KMT2AKDM4E
SCHEMBL11464993 0.88 BCHE (0.68) BCHEMEN1KMT2AL3MBTL1CHRM2
SCHEMBL25821885 0.87 BCHE (0.53) BCHEL3MBTL1DRD2DRD4DRD3
SCHEMBL19291789 0.86 MEN1 (0.60) BCHEHTR1BMEN1KMT2AKDM4E
SCHEMBL13881714 0.85 HTR1B (0.58) HTR1BKDM4EL3MBTL1DRD2DRD4
SCHEMBL4568879 0.85 PPARA (0.52) BCHEL3MBTL1CYP4F2CYP4A11TDP1
SCHEMBL25822293 0.84 HTR1B (0.57) HTR1BKDM4EL3MBTL1DRD2DRD4

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 BCHE 1649/4885HTR1B 960/4885MEN1 4640/4885

“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.