SCHEMBL8902105

SCHEMBL8902105

C[C@H](CN)C(O)c1cccc(OCC2CCCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP15 Q460N3 1/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL29819269 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL2205003 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL29818696 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL29818639 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL2204316 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL4572126 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL2207425 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL20295199 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL29818787 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2
SCHEMBL2205524 1.00 SIRT2 (0.43) SIRT2PARP10PARP15TLR4TLR2

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-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 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-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885PARP15 2520/4885

“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.