SCHEMBL7897833

SCHEMBL7897833

CC(C)COC(C)ONC(=O)/C=C/c1ccc(CNC(C)(C)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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 0.90 KDM4E (0.32) KDM4E
SCHEMBL9896770 0.90 KDM4E (0.32) KDM4E
SCHEMBL7899904 0.84 CYP19A1 (0.32)
SCHEMBL9895036 0.84 CYP19A1 (0.32)
SCHEMBL7899161 0.81 HDAC3 (0.42)
SCHEMBL3784072 0.76 HDAC3 (0.38) KDM4E
SCHEMBL3784075 0.76 HDAC3 (0.38) KDM4E
SCHEMBL9903985 0.76 LTA4H (0.35) KDM4E
SCHEMBL7889350 0.76 LTA4H (0.35) KDM4E
SCHEMBL2705576 0.74 TRPV1 (0.31)

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 4 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
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 LY96 3163/4885KDM4E 115/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 LY96 3716/4885KDM4E 266/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 LY96 3865/4885KDM4E 427/4885

“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.