SCHEMBL91150

SCHEMBL91150

CC(C)(C)OC(=O)NCCOc1cccc(OCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
PDK2 Q15119 1/20 0.55
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.46
POLB P06746 1/20 0.46
EGFR P00533 2/20 0.45
ITK Q08881 2/20 0.45
NQO2 P16083 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
SCHEMBL23729231 0.88 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL30441709 0.88 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL23729233 0.88 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL17974300 0.87 CA12 (0.54) CA12CA1CA2CA9PDK2
SCHEMBL13270629 0.86 POLB (0.62) CA12CA1CA2CA9PDK2
SCHEMBL2208524 0.86 CA1 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL4569112 0.86 MTNR1A (0.53) CA12CA1CA2CA9PDK2
SCHEMBL541782 0.85 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL2754694 0.85 CA12 (0.55) CA12CA1CA2CA9PDK2
SCHEMBL17960744 0.85 CA12 (0.55) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 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-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-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 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 (14 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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CA12 2405/4885CA1 1669/4885CA2 1640/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CA12 2405/4885CA1 1669/4885CA2 1640/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CA12 2405/4885CA1 1669/4885CA2 1640/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CA12 2711/4885CA1 1705/4885CA2 1808/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR CA12 2477/4885CA1 1719/4885CA2 1757/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA1 4852/4885CA2 3650/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CA12 2405/4885CA1 1669/4885CA2 1640/4885

“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.