SCHEMBL921280

SCHEMBL921280

ClCCCOc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
ALDH3A1 P30838 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL919130 0.95 KCNA3 (0.46) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL919856 0.93 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL920692 0.93 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL921941 0.93 KCNA3 (0.44) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL921229 0.93 KCNA3 (0.37) KCNA3ALDH3A1HDAC3HDAC4HDAC1
SCHEMBL10785918 0.87 KCNA3 (0.43) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7654202 0.85 KDM4E (0.37) KCNA3RECQLL3MBTL1
SCHEMBL11093336 0.84 KCNA3 (0.52) KCNA3DRD2DRD4DRD3ALDH1A1
SCHEMBL1007150 0.82
SCHEMBL4630511 0.81 KCNA3 (0.41) KCNA3HDAC3HDAC4HDAC1HDAC7

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
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP claimed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US claimed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US claimed
EP-2173728-A2 HETEROCYCLIC MODULATORS OF PKB Amgen Inc. (US) 2010-04-14 EP claimed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP claimed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US claimed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US claimed
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 CN claimed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US claimed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO claimed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO claimed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO claimed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US claimed
CN-107656077-A It is a kind of while detect 3 chloropropanol esters and the method for ethylene oxidic ester in edible oil 山东龙大粮油有限公司 2018-02-02 CN disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
CN-103172551-A Precursor compound for PET (Polyethylene Terephthalate) ligand of H3 receptor, and synthesis method of precursor compound UNIV NANJING SCIENCE & TECH 2013-06-26 CN disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 WO disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR KCNA3 3849/4885ALDH3A1 3290/4885HDAC3 826/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 KCNA3 4189/4885ALDH3A1 4316/4885HDAC3 635/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 KCNA3 4094/4885ALDH3A1 3487/4885HDAC3 1125/4885

“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.