SCHEMBL4572144

SCHEMBL4572144

ClNCc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
SLC2A1 P11166 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
CETP P11597 1/20 0.43
ADAM17 P78536 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 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
SCHEMBL25818867 0.86 HTR2C (0.50) SIRT2TLR4TLR2ALDH1A1KDM5A
SCHEMBL29818901 0.83 SIRT2 (0.49) SIRT2TLR4TLR2KDM5AKDM4C
SCHEMBL4569156 0.83 SLC2A1 (0.43) SIRT2TLR4TLR2SLC2A1MAOA
SCHEMBL2207070 0.83 SIRT2 (0.49) SIRT2TLR4TLR2KDM5AKDM4C
SCHEMBL8899048 0.81 SIRT2 (0.47) SIRT2TLR4TLR2KDM5AKDM4C
SCHEMBL24196243 0.81 KDM4E (0.51) SIRT2TLR4TLR2ALDH1A1SLC2A1
SCHEMBL31220919 0.81 TLR4 (0.50) SIRT2TLR4TLR2SLC2A1MAOA
SCHEMBL4569158 0.81 TLR4 (0.50) SIRT2TLR4TLR2SLC2A1MAOA
SCHEMBL2208831 0.81 TLR4 (0.50) SIRT2TLR4TLR2SLC2A1MAOA
SCHEMBL27439097 0.80 ACACB (0.48) SIRT2TLR4TLR2ALDH1A1KDM5A

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 SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885

“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.