SCHEMBL9896770

SCHEMBL9896770

CC(C)COC(C)ONC(=O)C=Cc1ccc(CNC(C)(C)C(=O)O)cn1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 9/20 0.32
HDAC1 Q13547 9/20 0.32
HDAC8 Q9BY41 8/20 0.32
HDAC4 P56524 5/20 0.32
HDAC6 Q9UBN7 5/20 0.32
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL9896765 1.00 KDM4E (0.32) KDM4EHDAC3HDAC1HDAC8HDAC4
SCHEMBL7897833 0.90 LY96 (0.31) KDM4E
SCHEMBL9895036 0.83 CYP19A1 (0.32)
SCHEMBL7899904 0.83 CYP19A1 (0.32)
SCHEMBL7889350 0.80 LTA4H (0.35) KDM4E
SCHEMBL9903985 0.80 LTA4H (0.35) KDM4E
SCHEMBL3784072 0.78 HDAC3 (0.38) KDM4EHDAC3HDAC1HDAC8HDAC4
SCHEMBL3784075 0.78 HDAC3 (0.38) KDM4EHDAC3HDAC1HDAC8HDAC4
SCHEMBL2705576 0.78 TRPV1 (0.31) TRPV1
SCHEMBL2705568 0.78 TRPV1 (0.31) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 KDM4E 115/4885HDAC3 3/4885HDAC1 1/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 KDM4E 266/4885HDAC3 3/4885HDAC1 2/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 KDM4E 427/4885HDAC3 5/4885HDAC1 2/4885

“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.