SCHEMBL3784075

SCHEMBL3784075

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.38
HDAC1 Q13547 8/20 0.38
HDAC8 Q9BY41 8/20 0.38
HDAC4 P56524 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
KDM4E B2RXH2 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
MAP3K7 O43318 2/20 0.34
TAB1 Q15750 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 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
SCHEMBL3784072 1.00 HDAC3 (0.38) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL10072445 0.92 HDAC1 (0.40) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411073 0.87 TAS1R3 (0.40) HDAC3HDAC1HDAC8HDAC6HDAC2
SCHEMBL1411075 0.87 TAS1R3 (0.40) HDAC3HDAC1HDAC8HDAC6HDAC2
SCHEMBL1411066 0.80 SLC6A19 (0.39) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411065 0.80 SLC6A19 (0.39) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411363 0.79 MAOB (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1411360 0.79 MAOB (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL9896765 0.78 KDM4E (0.32) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL9896770 0.78 KDM4E (0.32) HDAC3HDAC1HDAC8HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 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
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 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 (6 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 HDAC3 3/4885HDAC1 1/4885HDAC8 13/4885
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC1 2824/4885HDAC8 2282/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC3 3/4885HDAC1 2/4885HDAC8 11/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC1 2824/4885HDAC8 2282/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC3 5/4885HDAC1 2/4885HDAC8 10/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC1 2824/4885HDAC8 2282/4885

“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.