SCHEMBL4569112

SCHEMBL4569112

CC(=O)CCCOc1cccc(OCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
PDK2 Q15119 1/20 0.52
EGFR P00533 2/20 0.45
ITK Q08881 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.44
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2208524 0.90 CA1 (0.56) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL2209225 0.87 CA12 (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL12432984 0.86 CYSLTR2 (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL91150 0.86 CA12 (0.56) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23729231 0.85 CA12 (0.58) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL30441709 0.84 CA12 (0.57) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23729233 0.84 CA12 (0.57) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL15037006 0.84 CA1 (0.59) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL13270629 0.83 POLB (0.62) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL4450441 0.82 KDM4E (0.63) MTNR1AMTNR1BCA12CA1CA2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (7 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885

“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.