SCHEMBL8904211

SCHEMBL8904211

OCCc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
SLC2A1 P11166 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
CETP P11597 1/20 0.46
PARP10 Q53GL7 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PARP15 Q460N3 2/20 0.45

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
SCHEMBL4569158 0.88 TLR4 (0.50) TLR4TLR2SLC2A1SIRT2CETP
SCHEMBL31220919 0.88 TLR4 (0.50) TLR4TLR2SLC2A1SIRT2CETP
SCHEMBL3972767 0.85 TLR4 (0.48) TLR4TLR2SLC2A1SIRT2CETP
SCHEMBL3970976 0.85 TLR4 (0.48) TLR4TLR2SLC2A1SIRT2CETP
SCHEMBL13881548 0.85 TAAR1 (0.51) TLR4TLR2SLC2A1SIRT2PARP10
SCHEMBL31220912 0.85 TAAR1 (0.51) TLR4TLR2SLC2A1SIRT2PARP10
SCHEMBL3969096 0.84 TLR4 (0.46) TLR4TLR2SLC2A1PARP10MAOA
SCHEMBL1002808 0.83 TLR4 (0.46) TLR4TLR2SLC2A1SIRT2PARP10
SCHEMBL2202527 0.83 TLR4 (0.46) TLR4TLR2SLC2A1SIRT2PARP10
SCHEMBL2204247 0.83 TLR4 (0.46) TLR4TLR2SLC2A1SIRT2PARP10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 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 (4 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885TLR4 595/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885TLR4 595/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885TLR4 595/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885TLR4 595/4885

“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.