SCHEMBL4196065

SCHEMBL4196065

CC(=O)C(C)(C)C1=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL2222652 0.94 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL15114678 0.83 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL15114393 0.82 HDAC3 (0.34) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL15114677 0.79 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL9458910 0.78 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL3100734 0.76 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL3149225 0.76 ALDH1A1 (0.33) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL10581108 0.75 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL15114615 0.73 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL7769887 0.73 ALDH1A1 (0.37) HDAC4HDAC2HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
CN-103483151-B Ebanol preparation method PUCHENG YONGFANG FRAGRANCE TECHNOLOGY CO LTD 2015-04-08 CN disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
CN-103483151-A Ebanol preparation method PUCHENG YONGFANG FRAGRANCE TECHNOLOGY CO LTD 2014-01-01 CN disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 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 (5 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HDAC2 2774/4885HDAC8 1456/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HDAC2 2774/4885HDAC8 1456/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HDAC2 2774/4885HDAC8 1456/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HDAC4 2750/4885HDAC2 2774/4885HDAC8 1456/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HDAC4 2374/4885HDAC2 2591/4885HDAC8 1250/4885

“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.