SCHEMBL25820645

SCHEMBL25820645

CNCC#Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
ADAM17 P78536 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KAT6A Q92794 1/20 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
SCHEMBL13881607 0.90 CHRNB4 (0.46) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL19291385 0.89 CHRNB4 (0.48) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL4568824 0.87 CHRNB4 (0.47) CHRNB4CHRNA3TLR4TLR2PARP15
SCHEMBL4568821 0.85 CHRNA3 (0.51) CHRNB4CHRNA3TLR4TLR2PARP15
SCHEMBL2204534 0.84 TLR4 (0.45) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL3963497 0.84 TLR4 (0.47) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL2206912 0.82 CHRNB4 (0.56) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL2208539 0.82 CHRNB4 (0.48) CHRNB4CHRNA3TLR4TLR2SIRT2
SCHEMBL2209615 0.80 DDB1 (0.49) CHRNB4CHRNA3SIRT2ADAM17PARP15
SCHEMBL27996069 0.77 KAT6A (0.42) CHRNB4CHRNA3TLR4TLR2SIRT2

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 CHRNB4 955/4885CHRNA3 1500/4885TLR4 517/4885

“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.