SCHEMBL4568858

SCHEMBL4568858

CCC(=O)Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.48
PARP10 Q53GL7 4/20 0.48
PARP15 Q460N3 3/20 0.48
ADAM17 P78536 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
NPC1 O15118 1/20 0.44

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
SCHEMBL2205210 0.88 SIRT2 (0.50) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL29818757 0.88 SIRT2 (0.50) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL25823269 0.88 SLC2A1 (0.48) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL7312468 0.86 THRA (0.58) SLC2A1SIRT2PARP10PARP15TLR4
SCHEMBL7316033 0.86 POLB (0.52) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL13881838 0.86 SLC2A1 (0.49) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL8899048 0.85 SIRT2 (0.47) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL24196243 0.83 KDM4E (0.51) SLC2A1SIRT2PARP10PARP15ADAM17
SCHEMBL11941578 0.82 KDM4E (0.52) SLC2A1PARP10PARP15TLR4TLR2
SCHEMBL4569164 0.81 SLC2A1 (0.44) SLC2A1SIRT2PARP10PARP15ADAM17

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 16 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239836-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 (10 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 SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 891/4885SIRT2 903/4885PARP10 1846/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 1814/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885SIRT2 923/4885PARP10 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.