SCHEMBL4568865

SCHEMBL4568865

CCCOCc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CETP P11597 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADAM17 P78536 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2205862 0.87 TLR4 (0.44) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL29818750 0.87 TLR4 (0.44) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL25819794 0.86 HTR2C (0.45) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL3970976 0.83 TLR4 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL3972767 0.83 TLR4 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL24196243 0.83 KDM4E (0.51) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL4568904 0.83 TLR4 (0.53) TLR4TLR2MAOAMAOBPARP15
SCHEMBL4568768 0.83 TLR4 (0.53) TLR4TLR2MAOAMAOBPARP15
SCHEMBL4568767 0.83 TLR4 (0.53) TLR4TLR2MAOAMAOBPARP15
SCHEMBL3969096 0.82 TLR4 (0.46) TLR4TLR2SLC2A1MAOAMAOB

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 15 patents. 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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 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

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 TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885SLC2A1 911/4885

“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.