SCHEMBL4256591

SCHEMBL4256591

CC(C)Oc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.49
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
ACACB O00763 2/20 0.48
ACACA Q13085 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
PARP10 Q53GL7 4/20 0.47
PARP15 Q460N3 3/20 0.47
ADAM17 P78536 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL13647241 0.92 ACACA (0.54) TLR4TLR2ACACBACACA
SCHEMBL4568793 0.87 TLR4 (0.46) TLR4TLR2ACACBACACASIRT2
SCHEMBL4568967 0.87 TLR4 (0.46) TLR4TLR2ACACBACACASIRT2
SCHEMBL4568791 0.87 TLR4 (0.46) TLR4TLR2ACACBACACASIRT2
SCHEMBL4568965 0.87 TLR4 (0.46) TLR4TLR2ACACBACACASIRT2
SCHEMBL4569033 0.87 TLR4 (0.46) TLR4TLR2ACACBACACASIRT2
SCHEMBL15150948 0.86 TLR4 (0.48) TLR4TLR2ACACBACACASIRT2
SCHEMBL2206408 0.86 TLR4 (0.48) TLR4TLR2ACACBACACASIRT2
SCHEMBL2206412 0.86 TLR4 (0.48) TLR4TLR2ACACBACACASIRT2
SCHEMBL2206874 0.86 TLR4 (0.48) TLR4TLR2ACACBACACASIRT2

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 2 patents. 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
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO 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 GCK 411/4885TLR4 517/4885TLR2 890/4885

“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.