SCHEMBL25817465

SCHEMBL25817465

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
SLC6A4 P31645 5/20 0.38
HTR2A P28223 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
PARP10 Q53GL7 4/20 0.36
PARP15 Q460N3 3/20 0.36
CACNA1B Q00975 1/20 0.35
FLT3 P36888 1/20 0.34
KAT6A Q92794 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 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL4569161 0.88 TLR4 (0.52) HTR2CSLC6A4TLR4TLR2PARP10
SCHEMBL18545644 0.77 TLR4 (0.36) TLR4TLR2PARP10PARP15PPARG
SCHEMBL25817145 0.72 TLR4 (0.46) TLR4TLR2PARP10PARP15
SCHEMBL4569150 0.68 PARP10 (0.50) PARP10PARP15KAT6A
SCHEMBL21100209 0.67 BCHE (0.44)
SCHEMBL20332387 0.67 KAT6A (0.43) HTR2CSLC6A4PARP10PARP15KAT6A
SCHEMBL2206189 0.67 PARP10 (0.44) PARP10PARP15KAT6A
SCHEMBL21100361 0.67 TLR4 (0.46) TLR4TLR2CACNA1B
SCHEMBL21574018 0.66 HTR2C (0.42) HTR2CSLC6A4HTR2ACACNA1B
SCHEMBL8911411 0.66 HTR2C (0.42) HTR2CSLC6A4HTR2ACACNA1B

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HTR2C 2110/4885SLC6A4 1527/4885HTR2A 1163/4885

“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.