SCHEMBL25823626

SCHEMBL25823626

CNCCCc1cccc(OCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
BCHE P06276 3/20 0.48
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ACHE P22303 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL25825938 0.92 SLC22A12 (0.46) CHRM2CHRM1CHRM3BCHENOS1
SCHEMBL4568933 0.85 PPARA (0.50) BCHESMN1; SMN2CYP4F2CYP4A11NR1H4
SCHEMBL11464993 0.83 BCHE (0.68) CHRM2CHRM1CHRM3BCHENOS1
SCHEMBL2204528 0.82 SMN1; SMN2 (0.46) BCHETAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL14855263 0.80 CHRM2 (0.57) CHRM2CHRM1CHRM3BCHEMEN1
SCHEMBL25823623 0.79 BCHE (0.42) BCHEMTNR1AMTNR1B
SCHEMBL12110018 0.78 SOD1 (0.52) BCHESMN1; SMN2CYP4F2CYP4A11NR1H4
SCHEMBL27945322 0.77 SMN1; SMN2 (0.47) BCHESMN1; SMN2CYP4F2CYP4A11NR1H4
SCHEMBL12377082 0.77 CHRM2 (0.54) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL25819935 0.77 MEN1 (0.62) CHRM2CHRM1CHRM3BCHETAAR1

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 CHRM2 2420/4885CHRM1 3108/4885CHRM3 1218/4885

“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.