SCHEMBL21100523

SCHEMBL21100523

C[C@@H](CN1C(=O)C2C=CC=CC2C1=O)[C@H](O)c1cccc(OCC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.40
ACACA Q13085 2/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
ACACB O00763 1/20 0.37
FFAR1 O14842 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL2209619 0.84 DUT (0.41) DUTFFAR1MAOAMAOB
SCHEMBL4085382 0.84 DUT (0.41) DUTFFAR1MAOAMAOB
SCHEMBL17024422 0.83 DUT (0.42) DUTACACAACACBFFAR1
SCHEMBL2205493 0.83 DUT (0.42) DUTACACAACACBFFAR1
SCHEMBL4568785 0.79 TLR4 (0.43) ACACATLR4TLR2ACACBFFAR1
SCHEMBL4568808 0.79 TLR4 (0.43) ACACATLR4TLR2ACACBFFAR1
SCHEMBL4568981 0.79 TLR4 (0.43) ACACATLR4TLR2ACACBFFAR1
SCHEMBL4568827 0.79 TLR4 (0.43) ACACATLR4TLR2ACACBFFAR1
SCHEMBL4568784 0.79 TLR4 (0.43) ACACATLR4TLR2ACACBFFAR1
SCHEMBL8902105 0.78 SIRT2 (0.43) TLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 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-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER DUT 3010/4885ACACA 229/4885TLR4 595/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER DUT 3010/4885ACACA 229/4885TLR4 595/4885

“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.