SCHEMBL18539784

SCHEMBL18539784

CC[C@@H](C)Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
SLC2A1 P11166 1/20 0.44
AKT1 P31749 2/20 0.44
CETP P11597 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ADAM17 P78536 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL4569032 1.00 TLR4 (0.44) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18539791 1.00 TLR4 (0.44) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18539790 1.00 TLR4 (0.44) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18539789 1.00 TLR4 (0.44) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18539786 0.99 AKT1 (0.43) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18539781 0.99 AKT1 (0.43) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL13881677 0.88 AKT1 (0.46) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18550898 0.88 AKT1 (0.46) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL18550939 0.88 AKT1 (0.46) TLR4TLR2SLC2A1AKT1CETP
SCHEMBL13881631 0.88 AKT1 (0.46) TLR4TLR2SLC2A1AKT1CETP

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-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 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-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885

“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.