SCHEMBL560170

SCHEMBL560170

CN(C)c1ccc(/C=C/C=C/C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
APP P05067 5/20 0.66
HSD17B3 P37058 1/20 0.62
RELA Q04206 1/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP3 P42574 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL560171 1.00 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1124069 0.87 HSD17B3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL381477 0.87 HSD17B3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2028512 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2028511 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11318713 0.84 HSD17B3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11318709 0.84 HSD17B3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27735435 0.84 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11152099 0.83 TLR9 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9017237 0.82 APP (0.95) HDAC3HDAC4HDAC1HDAC7HDAC2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288168-A1 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, LLC 2011-11-24 US claimed
WO-2008011074-A2 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, LLC (US) 2008-01-24 WO claimed
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid ERRANT GENE THERAPEUTICS, LLC 2007-02-15 US claimed
EP-1408946-A4 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2004-06-09 EP claimed
EP-1408946-A2 HISTONE DEACETYLASE INHIBITORS Circagen Pharmaceutical (US) 2004-04-21 EP claimed
US-20020143037-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2002-10-03 US claimed
WO-2002076941-A2 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2002-10-03 WO claimed
US-20020143052-A1 Histone deacetylase inhibitors ANGELA CHEN SABELLA 2002-10-03 US claimed
US-9040722-B2 Photoelectric conversion device and photoelectric conversion device dye, and compound ADEKA CORPORATION (JP) 2015-05-26 US disclosed
US-9040722-B2 Photoelectric conversion device and photoelectric conversion device dye, and compound ADEKA CORPORATION (JP) 2015-05-26 US disclosed
US-8709821-B2 Luminescent substrate for liciferase THE UNIVERSITY OF ELECTRO-COMMUNICATIONS (JP) 2014-04-29 US disclosed
US-8709821-B2 Luminescent substrate for liciferase THE UNIVERSITY OF ELECTRO-COMMUNICATIONS (JP) 2014-04-29 US disclosed
US-20130186468-A1 PHOTOELECTRIC CONVERSION DEVICE AND PHOTOELECTRIC CONVERSION DEVICE DYE, AND COMPOUND ADEKA CORPORATION (JP) 2013-07-25 US disclosed
US-20130186468-A1 PHOTOELECTRIC CONVERSION DEVICE AND PHOTOELECTRIC CONVERSION DEVICE DYE, AND COMPOUND ADEKA CORPORATION (JP) 2013-07-25 US disclosed
US-6495719-B2 FOR USE IN THERAPY OF CANCER, HEMATOLOGICAL DISORDERS, SUCH AS HEMATOPOIESIS, AND GENETIC RELATED METABOLIC DISORDERS, SUCH AS, CYSTIC FIBROSIS AND ADRENOLEUKODYSTROPHY CIRCAGEN PHARMACEUTICAL 2002-12-17 US disclosed
WO-2002076941-A2 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2002-10-03 WO disclosed
US-20020143037-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2002-10-03 US disclosed
US-20020143052-A1 Histone deacetylase inhibitors ANGELA CHEN SABELLA 2002-10-03 US disclosed
US-20020143196-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC 2002-10-03 US disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 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-20020143052-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 HDAC3 7/4885HDAC4 14/4885HDAC1 1/4885
US-20020143196-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC5 HDAC3 6/4885HDAC4 10/4885HDAC1 1/4885
US-20020143037-A1 Histone deacetylase inhibitors HDAC1, HDAC9, HDAC11 HDAC3 5/4885HDAC4 13/4885HDAC1 1/4885
US-20110288168-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC6, HDAC5 HDAC3 6/4885HDAC4 10/4885HDAC1 1/4885
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid HDAC5, HDAC1, ZNF277 HDAC3 7/4885HDAC4 16/4885HDAC1 2/4885

“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.