SCHEMBL16147569

SCHEMBL16147569

O=C(CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2cn[nH]c2)cc1)NO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.46
▸ ROCK2 O75116 6/20 0.45
▸ HDAC1 Q13547 9/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ PPARD Q03181 3/20 0.43
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL17672043 0.93 HDAC1 (0.42) ROCK1ROCK2HDAC1HDAC2HDAC8
SCHEMBL17672153 0.93 HDAC1 (0.42) ROCK1ROCK2HDAC1HDAC2HDAC8
SCHEMBL17671974 0.93 ROCK1 (0.44) ROCK1ROCK2HDAC1HDAC2HDAC8
SCHEMBL17671855 0.93 ROCK1 (0.44) ROCK1ROCK2HDAC1HDAC2HDAC8
SCHEMBL16147755 0.91 PPARD (0.51) ROCK1ROCK2PPARD
SCHEMBL16148800 0.90 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL16147649 0.90 ROCK1 (0.46) ROCK1ROCK2PPARD
SCHEMBL16148197 0.88 HDAC1 (0.47) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL16147383 0.86 HDAC1 (0.47) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL22100277 0.86 OXTR (0.48) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 — — US claimed
EP-2981522-A1 PPAR AGONISTS Salk Institute for Biological Studies (US) 2016-02-10 — — EP claimed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 — — US claimed
WO-2014165827-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-10-09 — — WO claimed
US-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-07 — — US disclosed
US-11813258-B2 Therapy for mitochondrial fatty acid beta-oxidation and transport disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-11-14 — — US disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 — — US disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 — — US disclosed
US-20210308128-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-07 — — US disclosed
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 — — US disclosed
US-11077105-B2 Therapy for mitochondrial fatty acid beta-oxidation and transport disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-08-03 — — US disclosed
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-07-09 — — US disclosed
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 — — US disclosed
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-10 — — US disclosed
WO-2016057322-A1 PPAR AGONISTS AND METHODS OF USE THEREOF SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-04-14 — — WO disclosed
EP-2981522-A1 PPAR AGONISTS Salk Institute for Biological Studies (US) 2016-02-10 — — EP disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 — — US disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 — — US disclosed
WO-2014165827-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-10-09 — — WO disclosed
WO-2014165827-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-10-09 — — 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA ROCK1 4729/4885ROCK2 4792/4885HDAC1 1137/4885
US-20160023991-A1 PPAR AGONISTS PPARG, PPARD, PPARA ROCK1 4729/4885ROCK2 4792/4885HDAC1 1137/4885
US-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders HADHB, HADHA, NDUFAB1 ROCK1 4874/4885ROCK2 4848/4885HDAC1 2389/4885
US-11813258-B2 Therapy for mitochondrial fatty acid beta-oxidation and transport disorders HADHB, HADHA, CPT2 ROCK1 4872/4885ROCK2 4836/4885HDAC1 2694/4885
US-20210308128-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders HADHB, HADHA, CPT2 ROCK1 4872/4885ROCK2 4836/4885HDAC1 2694/4885
US-11077105-B2 Therapy for mitochondrial fatty acid beta-oxidation and transport disorders HADHB, HADHA, NDUFAB1 ROCK1 4870/4885ROCK2 4825/4885HDAC1 2900/4885
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA ROCK1 4790/4885ROCK2 4853/4885HDAC1 1824/4885
US-11130779-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA ROCK1 4790/4885ROCK2 4853/4885HDAC1 1824/4885
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA ROCK1 4826/4885ROCK2 4860/4885HDAC1 1868/4885

“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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