SCHEMBL1002808

SCHEMBL1002808

NCCCc1cccc(OCC2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
PARP10 Q53GL7 3/20 0.46
SLC2A1 P11166 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PARP15 Q460N3 2/20 0.43

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
SCHEMBL2202527 1.00 TLR4 (0.46) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL2204247 1.00 TLR4 (0.46) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL30580721 1.00 TLR4 (0.46) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL2207362 0.99 SLC2A1 (0.44) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL2206503 0.96 TLR4 (0.45) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL2204225 0.96 PARP10 (0.45) TLR4TLR2PARP10SLC2A1PARP15
SCHEMBL2206248 0.93 TAAR1 (0.45) TLR4TLR2
SCHEMBL13881548 0.92 TAAR1 (0.51) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL31220912 0.92 TAAR1 (0.51) TLR4TLR2PARP10SLC2A1SIRT2
SCHEMBL21100026 0.90 SPHK2 (0.44) 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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 US disclosed
US-20220202745-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. 2022-06-30 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
WO-2011003103-A2 PHARMACOLOGY OF VISUAL CYCLE MODULATORS ACUCELA, INC. (US) 2011-01-06 WO disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO 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 (7 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885PARP10 1814/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 517/4885TLR2 890/4885PARP10 1846/4885
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 TLR4 204/4885TLR2 277/4885PARP10 670/4885
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 TLR4 204/4885TLR2 277/4885PARP10 670/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885PARP10 1814/4885
US-20220202745-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 TLR4 204/4885TLR2 277/4885PARP10 670/4885
US-20090326074-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.