SCHEMBL25823652

SCHEMBL25823652

CCc1cccc(Cl)c1COc1cccc(OCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
NR4A2 P43354 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR5 Q9H228 7/20 0.42
S1PR3 Q99500 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 2/20 0.39
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29818789 0.87 SMN1; SMN2 (0.51) NOS3NOS1NOS2SMN1; SMN2TAAR1
SCHEMBL2206066 0.87 SMN1; SMN2 (0.51) NOS3NOS1NOS2SMN1; SMN2TAAR1
SCHEMBL25820557 0.83 NOS3 (0.43) NOS3NOS1NOS2SMN1; SMN2TAAR1
SCHEMBL13881826 0.80 MEN1 (0.44) S1PR5S1PR3NOS3NOS1NOS2
SCHEMBL19291702 0.79 MAPK1 (0.41) NPC1NR4A2RAB9AS1PR5S1PR3
SCHEMBL4568939 0.78 SMN1; SMN2 (0.51) NPC1NR4A2RAB9ASMN1; SMN2MEN1
SCHEMBL18550922 0.75 TAAR1 (0.38) NPC1NR4A2RAB9ASMN1; SMN2TAAR1
SCHEMBL2205356 0.75 TAAR1 (0.48) NOS3NOS1NOS2TAAR1MAOB
SCHEMBL29818723 0.75 TAAR1 (0.48) NOS3NOS1NOS2TAAR1MAOB
SCHEMBL9107098 0.73 TAAR1 (0.70) TAAR1

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 NPC1 47/4885NR4A2 766/4885RAB9A 2078/4885

“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.