SCHEMBL4063122

SCHEMBL4063122

O=C1CCCCCC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.50
MCL1 Q07820 1/20 0.49
MAPT P10636 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MT-CO2 P00403 2/20 0.43
ALOX5 P09917 2/20 0.43
TLR4 O00206 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA1 P00915 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL28417815 1.00 SLC18A3 (0.50) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL30882060 1.00 SLC18A3 (0.50) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL15660493 1.00 SLC18A3 (0.50) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL15874614 1.00 SLC18A3 (0.50) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL190786 0.98 SLC18A3 (0.51) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL15874652 0.98 SLC18A3 (0.51) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL9328018 0.98 SLC18A3 (0.51) SLC18A3MCL1MAPTDDB1CRBN
Hydrogen Peroxide SCHEMBL14842506 0.96 MCL1 (0.53) SLC18A3MCL1MAPTDDB1CRBN
Formaldehyde SCHEMBL28906285 0.94 SLC18A3 (0.49) SLC18A3MCL1MAPTDDB1CRBN
SCHEMBL361599 0.92 DDB1 (0.48) SLC18A3MCL1MAPTDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670314-A4 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA INC (US) 2009-02-25 EP claimed
EP-1670314-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS Sequella, Inc. (US) 2006-06-21 EP claimed
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics SEQUELLA, INC. 2005-05-26 US claimed
WO-2005034857-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA, INC. (US) 2005-04-21 WO claimed
US-20240368001-A1 SALT RECOVERY SOLUTION AND PROCESSES OF USE THEREOF AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2024-11-07 US disclosed
US-11987506-B2 Salt recovery solution and processes of use thereof AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2024-05-21 US disclosed
US-20230257284-A1 SALT RECOVERY SOLUTION AND PROCESSES OF USE THEREOF AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2023-08-17 US disclosed
CN-113527130-B Synthesis method of alpha-amide, alpha-aryl quaternary carboketone compound 兰州大学 2023-07-18 CN disclosed
CN-116282078-A Salt recovery solution and method of using the same 阿克福特斯技术有限公司 2023-06-23 CN disclosed
CN-111225875-B Salt recovery solution and method of using salt recovery solution 阿克福特斯技术有限公司 2023-04-11 CN disclosed
US-20230043356-A1 A SOLVENT DRYING COMPOSITION AND PROCESSES THEREFOR AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2023-02-09 US disclosed
EP-3946712-A1 A SOLVENT DRYING COMPOSITION AND PROCESSES THERFOR Aquafortus Technologies Limited (NZ) 2022-02-09 EP disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 US disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 EP disclosed
US-4219652-A N-Methyl and N-phenethyl-cis-decahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-08-26 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-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics C5, DDC, SAT1 SLC18A3 3849/4885MCL1 1381/4885MAPT 403/4885
US-20230043356-A1 A SOLVENT DRYING COMPOSITION AND PROCESSES THEREFOR AQP1, AQP4, NOTUM SLC18A3 486/4885MCL1 3665/4885MAPT 668/4885
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 SLC18A3 2929/4885MCL1 3724/4885MAPT 1946/4885

“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.