SCHEMBL469036

SCHEMBL469036

CC(=O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 1/20 0.61
HAO1 Q9UJM8 1/20 0.53
DEGS1 O15121 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
RAD52 P43351 1/20 0.46
ACMSD Q8TDX5 1/20 0.44
KMO O15229 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL967133 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL15905969 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL14231550 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL15081033 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL12337677 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL6822733 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL28595922 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL6822864 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL13445251 0.98 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL11136357 0.93 HDAC8 (0.54) HDAC8HDAC6HDAC1HAO1DEGS1

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-109020790-B Preparation method of 4-naphthenic acetophenone derivative 苏州大学 2021-07-27 CN disclosed
US-9932573-B2 Labeled enzyme compositions, methods and systems Life Technologies Corporation (US) 2018-04-03 US disclosed
US-9567629-B2 Labeled enzyme compositions, methods and systems Life Technologies Corporation (US) 2017-02-14 US disclosed
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 US disclosed
US-6737438-B2 EFFECTIVE IN MULTIDRUG RESISTANT MICE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-05-18 US disclosed
US-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-03-18 US disclosed
US-4016214-A Preparation of ethynylbenzenes WILLIAM H. RORER, INC. (US) 1977-04-05 US disclosed
US-3952067-A Ethynylbenzenes WILLIAM H. RORER, INC. (US) 1976-04-20 US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed
US-3944589-A α-Cycloalkenylphenyl-fatty acid nitriles CIBA-GEIGY CORPORATION (US) 1976-03-16 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 (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-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof DHPS, TBXAS1, ABCC1 HDAC8 3105/4885HDAC6 4657/4885HDAC1 3137/4885
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HDAC8 124/4885HDAC6 523/4885HDAC1 531/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HDAC8 462/4885HDAC6 1443/4885HDAC1 991/4885

“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.