Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569161

SCHEMBL4569161

SCHEMBL4569161

CN(C/C=C/c1cccc(OCC2CCCCC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.52
▸ TLR2 O60603 2/20 0.52
▸ ADAM17 P78536 1/20 0.41
▸ EPOR P19235 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL25817465 0.88 HTR2C (0.38) TLR4TLR2HTR2CSLC6A4PARP15
SCHEMBL21100361 0.80 TLR4 (0.46) TLR4TLR2EPORALOX5ALOX5AP
SCHEMBL4569146 0.76 TLR4 (0.58) TLR4TLR2ADAM17SIRT2PARP15
SCHEMBL4569147 0.76 TLR4 (0.64) TLR4TLR2ADAM17SIRT2PARP15
SCHEMBL20332387 0.76 KAT6A (0.43) ADAM17SIRT2HTR2CSLC6A4NR1H4
SCHEMBL21100209 0.76 BCHE (0.44) ADAM17
SCHEMBL2754737 0.75 HSD17B3 (0.44) EPORALOX5ALOX5APPTGS1PTGS2
SCHEMBL17632390 0.74 AKR1C1 (0.39) EPORALOX5ALOX5APPTGS1PTGS2
SCHEMBL17632392 0.74 AKR1C1 (0.39) EPORALOX5ALOX5APPTGS1PTGS2
SCHEMBL2207367 0.73 SLC2A1 (0.42) TLR4TLR2ADAM17SIRT2SLC2A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 — — US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 — — US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 — — US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 — — US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 — — EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 — — 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-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-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-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
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 (8 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885ADAM17 2449/4885

“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.