SCHEMBL18545644

SCHEMBL18545644

CN(C/C=C/c1cc(C=O)cc(OCC2CCCCC2)c1)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
PARP10 Q53GL7 7/20 0.36
PDK2 Q15119 3/20 0.35
PARP15 Q460N3 6/20 0.35
SCN9A Q15858 2/20 0.34
PARP2 Q9UGN5 1/20 0.33
HPGD P15428 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MMP3 P08254 1/20 0.32

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
SCHEMBL4569119 0.80 TLR4 (0.38) TLR4TLR2PARP10PDK2PARP15
SCHEMBL25817465 0.77 HTR2C (0.38) TLR4TLR2PARP10PARP15PPARG
SCHEMBL16247136 0.76 TLR4 (0.50) TLR4TLR2PARP10PARP15PARP2
SCHEMBL13881581 0.76 TLR4 (0.44) TLR4TLR2PARP10PARP15PARP2
SCHEMBL18002261 0.72 TLR4 (0.43) TLR4TLR2PARP10PDK2PARP15
SCHEMBL18002090 0.72 TLR4 (0.43) TLR4TLR2PARP10PDK2PARP15
SCHEMBL25817145 0.71 TLR4 (0.46) TLR4TLR2PARP10PARP15PARP2
SCHEMBL4569161 0.71 TLR4 (0.52) TLR4TLR2PARP10PARP15
SCHEMBL18002433 0.71 TLR4 (0.41) TLR4TLR2PARP10PDK2PARP15
SCHEMBL27197634 0.70 TLR4 (0.45) TLR4TLR2PARP10PARP15PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
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 (2 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 943/4885PARP10 1814/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885PARP10 1814/4885

“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.