SCHEMBL2207089

SCHEMBL2207089

CC(C)(C)OC(=O)NCCCc1cccc(OCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.51
▸ MTNR1B P49286 2/20 0.51
▸ CA12 O43570 5/20 0.49
▸ CA1 P00915 5/20 0.49
▸ CA2 P00918 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ FDFT1 P37268 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ SIGMAR1 Q99720 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
SCHEMBL4572150 0.89 MTNR1A (0.49) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL4572151 0.89 CA1 (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL21089840 0.87 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL2210012 0.87 HPGD (0.49) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL25248892 0.86 CYP2D6 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL8903631 0.86 CYP2D6 (0.53) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL2205549 0.86 BCHE (0.50) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL2208406 0.86 CYP2D6 (0.53) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL24674846 0.85 ROCK2 (0.47) CYP2D6POLB
SCHEMBL91150 0.85 CA12 (0.56) 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 47 patents — showing the first 20. 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 — — US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 — — US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 — — US disclosed
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-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-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-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
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 — — US disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 — — EP 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 (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 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-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 93/4885MTNR1B 92/4885CA12 4648/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885CA12 4643/4885
US-10188615-B2 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-10639286-B2 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.

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