SCHEMBL14723641

SCHEMBL14723641

CC(=O)Nc1ccc(OC(=O)CCCCCCC(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.62
HDAC6 Q9UBN7 16/20 0.62
HDAC3 O15379 11/20 0.62
HDAC2 Q92769 11/20 0.62
HDAC11 Q96DB2 10/20 0.62
HDAC8 Q9BY41 10/20 0.62
HDAC10 Q969S8 9/20 0.62
HDAC4 P56524 9/20 0.62
HDAC7 Q8WUI4 9/20 0.62
HDAC9 Q9UKV0 9/20 0.62
HDAC5 Q9UQL6 9/20 0.62
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NCOR2 Q9Y618 2/20 0.55
OPRK1 P41145 1/20 0.53
JAK2 O60674 4/20 0.51
KDM4E B2RXH2 1/20 0.50
BRD4 O60885 1/20 0.50
NCOR1 O75376 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL16436961 0.89 KMT2A (0.55) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL16472105 0.88 KMT2A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL20660653 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL20660561 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL20660719 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL28398818 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL10620286 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL29122639 0.86 OPRK1 (0.59) KMT2AMEN1OPRK1
SCHEMBL11284305 0.84 OPRK1 (0.61) KMT2AMEN1OPRK1L3MBTL1
SCHEMBL14723640 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 US disclosed
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS Harvard University & Medical School 2015-02-05 US disclosed
EP-2010168-B1 HISTONE DEACETYLASE INHIBITORS HARVARD COLLEGE (US) 2014-04-16 EP disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 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 (1 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-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC6 16/4885HDAC3 9/4885

“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.