SCHEMBL25820053

SCHEMBL25820053

CNCCCc1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.52
HTR1B P28222 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MGLL Q99685 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HTR1D P28221 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
SCHEMBL25819946 0.96 BCHE (0.53) BCHEHTR1BL3MBTL1TDP1MEN1
SCHEMBL13881850 0.94 BCHE (0.53) BCHEHTR1BL3MBTL1MEN1KMT2A
SCHEMBL25822293 0.88 HTR1B (0.57) HTR1BL3MBTL1TDP1KDM4EDRD2
SCHEMBL25820039 0.87 BCHE (0.52) BCHEL3MBTL1TDP1DRD2DRD4
SCHEMBL13881714 0.87 HTR1B (0.58) HTR1BL3MBTL1TDP1KDM4EDRD2
SCHEMBL25819935 0.86 MEN1 (0.62) BCHEHTR1BL3MBTL1MEN1KMT2A
SCHEMBL11464993 0.86 BCHE (0.68) BCHEL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL4568889 0.85 TDP1 (0.55) BCHEL3MBTL1TDP1MGLLCYP4F2
SCHEMBL19291789 0.85 MEN1 (0.60) BCHEHTR1BL3MBTL1MEN1KMT2A
SCHEMBL4249052 0.84 TDP1 (0.52) BCHEL3MBTL1TDP1MGLLCYP4F2

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 960/4885L3MBTL1 2438/4885

“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.