SCHEMBL17064261

SCHEMBL17064261

COC(=O)CCCCC(=O)Nc1ccc(CCCC(=O)Nc2ccc(CCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
HDAC8 Q9BY41 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.51

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
SCHEMBL17064303 0.99 HDAC8 (0.56) EPHX2HDAC8L3MBTL1CYP4F2CYP4A11
SCHEMBL28400275 0.96 HDAC8 (0.58) EPHX2HDAC8L3MBTL1CYP4F2CYP4A11
SCHEMBL17064287 0.88 EPHX2 (0.54) EPHX2HDAC8L3MBTL1TRPV1HDAC3
SCHEMBL3409184 0.87 CYP4A11 (0.68) EPHX2CYP4F2CYP4A11ALDH1A1HTT
SCHEMBL17064239 0.86 HDAC8 (0.55) EPHX2HDAC8L3MBTL1TRPV1HDAC3
SCHEMBL18423252 0.86 L3MBTL1 (0.70) HDAC8L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL17064243 0.85 CYP4A11 (0.64) HDAC8CYP4F2CYP4A11TRPV1HDAC3
SCHEMBL22873928 0.84 GAA (0.57) HDAC8TRPV1HDAC3HDAC4HDAC1
SCHEMBL3002599 0.84 HDAC8 (0.61) HDAC8L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL31635262 0.83 L3MBTL1 (0.69) HDAC8L3MBTL1HDAC3HDAC4HDAC1

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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY 2021-01-14 US disclosed
CN-106458856-A Inhibitors of histone lysine specific demethylase (lsd1) and histone deacetylases (hdacs) 约翰霍普金斯大学 2017-02-22 CN disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 US disclosed
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 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 (3 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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 EPHX2 2257/4885HDAC8 31/4885L3MBTL1 194/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 EPHX2 2257/4885HDAC8 31/4885L3MBTL1 194/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 EPHX2 2257/4885HDAC8 31/4885L3MBTL1 194/4885

“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.