SCHEMBL1491709

SCHEMBL1491709

CC(OC(C)(C)C)[C@H](NCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.43
HDAC1 Q13547 14/20 0.43
HDAC6 Q9UBN7 13/20 0.43
HDAC8 Q9BY41 12/20 0.43
HDAC2 Q92769 11/20 0.43
HDAC11 Q96DB2 9/20 0.43
HDAC10 Q969S8 8/20 0.43
HDAC4 P56524 8/20 0.43
HDAC7 Q8WUI4 8/20 0.43
HDAC9 Q9UKV0 8/20 0.43
HDAC5 Q9UQL6 8/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NCOR2 Q9Y618 3/20 0.42
CDK9 P50750 1/20 0.41
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
NCOR1 O75376 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL1491703 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491705 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL12673062 0.87 HDAC3 (0.51) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL27711536 0.85 HDAC1 (0.50) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491445 0.84 HDAC3 (0.43) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491450 0.84 HDAC3 (0.43) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491721 0.83 HDAC1 (0.46) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491718 0.83 HDAC1 (0.46) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491691 0.81 ALDH1A1 (0.47) HDAC3HDAC1HDAC6HDAC8HDAC2
SCHEMBL1491687 0.81 ALDH1A1 (0.47) HDAC3HDAC1HDAC6HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC3 7/4885HDAC1 1/4885HDAC6 11/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC3 3/4885HDAC1 5/4885HDAC6 557/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC3 4/4885HDAC1 9/4885HDAC6 1058/4885

“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.