SCHEMBL4413178

SCHEMBL4413178

NCCNc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
PARP10 Q53GL7 2/20 0.48
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
KAT6A Q92794 1/20 0.44
PARP15 Q460N3 1/20 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
SCHEMBL4568818 0.86 SIRT2 (0.52) SIRT2PARP10TLR4TLR2KAT6A
SCHEMBL25821375 0.85 SIRT2 (0.51) SIRT2PARP10TLR4TLR2KAT6A
SCHEMBL11935692 0.83 NR1H4 (0.44) SIRT2TLR4TLR2
SCHEMBL4427324 0.81 PARP10 (0.51) PARP10PARP15
SCHEMBL27996034 0.80 SIRT2 (0.56) SIRT2PARP10TLR4TLR2PARP15
SCHEMBL4073791 0.79 SIRT2 (0.50) SIRT2PARP10TLR4TLR2KAT6A
SCHEMBL19291849 0.79 SIRT2 (0.36) SIRT2
SCHEMBL29819321 0.79 TLR4 (0.53) SIRT2PARP10TLR4TLR2PARP15
SCHEMBL29818651 0.79 TLR4 (0.53) SIRT2PARP10TLR4TLR2PARP15
SCHEMBL2202599 0.79 TLR4 (0.53) SIRT2PARP10TLR4TLR2PARP15

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 49 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-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-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
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
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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-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 (9 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 SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 903/4885PARP10 1846/4885TLR4 517/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 595/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER SIRT2 923/4885PARP10 1814/4885TLR4 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.