SCHEMBL4568790

SCHEMBL4568790

CC[C@@H](C)Oc1cccc(OCC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
ACACB O00763 2/20 0.46
ACACA Q13085 2/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
ADAM17 P78536 1/20 0.42
PARP10 Q53GL7 4/20 0.42
PARP15 Q460N3 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4568799 1.00 GPBAR1 (0.47) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL4569033 0.99 TLR4 (0.46) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL4568967 0.99 TLR4 (0.46) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL4568791 0.99 TLR4 (0.46) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL4568793 0.99 TLR4 (0.46) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL4568965 0.99 TLR4 (0.46) GPBAR1CYSLTR1ACACBACACATLR4
SCHEMBL2209121 0.87 TLR4 (0.46) ACACBACACATLR4TLR2SIRT2
SCHEMBL2206480 0.87 TLR4 (0.46) ACACBACACATLR4TLR2SIRT2
SCHEMBL29818715 0.87 TLR4 (0.46) ACACBACACATLR4TLR2SIRT2
SCHEMBL29819098 0.87 TLR4 (0.46) ACACBACACATLR4TLR2SIRT2

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-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 (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 GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885ACACB 139/4885

“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.