SCHEMBL25819210

SCHEMBL25819210

CNCCOc1cccc(OCC2CCCCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.50
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
HTR1D P28221 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
NSD2 O96028 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAM17 P78536 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44

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
SCHEMBL18721737 1.00 HTR1B (0.50) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL19291642 1.00 HTR1B (0.50) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL19291799 0.99 HTR1B (0.51) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL25822091 0.96 HTR1B (0.51) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL25822083 0.93 HTR1B (0.54) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL25819231 0.86 KDM4E (0.40) HTR1BTLR4TLR2HTR1DCARM1
SCHEMBL25819794 0.84 HTR2C (0.45) TLR4TLR2CARM1PRMT6SIRT2
SCHEMBL4568767 0.84 TLR4 (0.53) TLR4TLR2KDM4EALDH1A1TDP1
SCHEMBL4568768 0.84 TLR4 (0.53) TLR4TLR2KDM4EALDH1A1TDP1
SCHEMBL4568904 0.84 TLR4 (0.53) TLR4TLR2KDM4EALDH1A1TDP1

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 HTR1B 960/4885TLR4 517/4885TLR2 890/4885

“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.