SCHEMBL12055210

SCHEMBL12055210

CC(=O)NCCCC[C@H](NC(C)C)C(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ FOLH1 Q04609 2/20 0.47
▸ PAOX Q6QHF9 3/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX1 P07099 1/20 0.34
▸ ALB P02768 3/20 0.34
▸ ZDHHC7 Q9NXF8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16231519 1.00 KDM4E (0.48) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20235708 0.90 KDM4E (0.52) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL19483461 0.88 MTNR1A (0.40) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL25590403 0.87 FOLH1 (0.37) KDM4EMAPK1HIF1AFOLH1SIRT5
SCHEMBL22800728 0.85 SIRT6 (0.35) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL21913856 0.84 ALDH1A1 (0.43) FOLH1ALBTSHRALDH1A1
SCHEMBL763069 0.84 MEN1 (0.53) FOLH1SIRT6SIRT1SMN1; SMN2EPHX1
SCHEMBL25651291 0.83 GLP1R (0.43) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL25651303 0.83 GLP1R (0.43) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL23944184 0.83 ALDH1A1 (0.40) FOLH1ALBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223889-A1 Bicyclic Compounds Capable of Binding to Melanocortin 4 Receptor NOVO NORDISK A/S (DK) 2020-07-16 — — US disclosed
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY BROAD INST INC (US) 2018-06-07 — — US disclosed
US-9856509-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2018-01-02 — — US disclosed
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 — — US disclosed
US-20110319493-A1 HISTONE DEACETYLASES, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-12-29 — — US disclosed
US-20110313045-A1 HISTONE DEACETYLASES, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-12-22 — — 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 (5 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-20110319493-A1 HISTONE DEACETYLASES, AND USES RELATED THERETO HDAC1, HDAC8, HDAC11 KDM4E 222/4885MAPK1 3413/4885HIF1A 1059/4885
US-20200223889-A1 Bicyclic Compounds Capable of Binding to Melanocortin 4 Receptor MC4R, MC5R, MC3R KDM4E 2846/4885MAPK1 2229/4885HIF1A 2088/4885
US-20110313045-A1 HISTONE DEACETYLASES, AND USES RELATED THERETO HDAC1, HDAC8, HDAC11 KDM4E 222/4885MAPK1 3413/4885HIF1A 1059/4885
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY KDM1A, MAN2B1, KDM3A KDM4E 150/4885MAPK1 2405/4885HIF1A 3295/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A KDM4E 219/4885MAPK1 2901/4885HIF1A 3309/4885

“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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