SCHEMBL544942

SCHEMBL544942

CCC(=O)OC(=O)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ALOX5 P09917 3/20 0.55
TDP1 Q9NUW8 4/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL27431285 0.95 MAPT (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2222140 0.93 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4606935 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17223648 0.91 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27825851 0.90 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1739442 0.89 TDP1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7431738 0.89 TDP1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13498527 0.89 MAPT (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28829454 0.87 TDP1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8790943 0.87 MAPT (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337442-B Novel glucose derivatives as inhibitors of sodium-dependent glucose transporter type 2 东亚ST株式会社 2023-05-12 CN disclosed
US-11357748-B2 Methods for treating mendelian disorders of the epigenetic machinery THE JOHNS HOPKINS UNIVERSITY (US) 2022-06-14 US disclosed
US-10568854-B2 Compositions and methods for treating kabuki syndrome and related disorders THE JOHNS HOPKINS UNIVERSITY (US) 2020-02-25 US disclosed
CN-109715721-A Resin combination and resin-formed body 富士施乐株式会社 2019-05-03 CN disclosed
US-20170100354-A1 COMPOSITIONS AND METHODS FOR TREATING KABUKI SYNDROME AND RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-04-13 US disclosed
US-20170095436-A1 METHODS FOR TREATING MENDELIAN DISORDERS OF THE EPIGENETIC MACHINERY THE JOHNS HOPKINS UNIVERSITY (US) 2017-04-06 US disclosed
WO-2015184279-A1 COMPOSITIONS AND METHODS FOR TREATING KABUKI SYNDROME AND RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed
WO-2015184260-A2 METHODS FOR TREATING MENDELIAN DISORDERS OF THE EPIGENETIC MACHINERY THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed
US-20120108522-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE 2012-05-03 US disclosed
US-8110550-B2 HDAC inhibitors and hormone targeted drugs for the treatment of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-02-07 US disclosed
EP-2359828-A1 HDAC inhibitors and hormone targeted drugs for the treatment of cancer University of Maryland, Baltimore (US) 2011-08-24 EP disclosed
EP-2167090-A2 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER University of Maryland, Baltimore (US) 2010-03-31 EP disclosed
US-20090048156-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE 2009-02-19 US disclosed
WO-2008154402-A2 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-12-18 WO disclosed
CN-1003124-B Method for synthesizing ben butyl propylprolic acid 国家医药管理局上海医药工业研究院 1989-01-25 CN 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 (2 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-20120108522-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC3 4/4885HDAC2 6/4885
US-20090048156-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC3 4/4885HDAC2 6/4885

“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.