SCHEMBL4137088

SCHEMBL4137088

O=C1CCCCC1c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP13 P45452 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 1/20 0.40
MCL1 Q07820 1/20 0.39
SLC18A3 Q16572 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TLR4 O00206 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL30479180 1.00 MAPT (0.46) MAPTCYP1A2RECQLKDM4EMMP13
SCHEMBL4286233 0.98 MAPT (0.44) MAPTCYP1A2RECQLKDM4EMMP13
SCHEMBL19993836 0.79 DDB1 (0.43) CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL190786 0.78 SLC18A3 (0.51) MAPTKDM4EMCL1SLC18A3TLR4
SCHEMBL9328018 0.78 SLC18A3 (0.51) MAPTKDM4EMCL1SLC18A3TLR4
SCHEMBL15874652 0.78 SLC18A3 (0.51) MAPTKDM4EMCL1SLC18A3TLR4
SCHEMBL9329013 0.77 SLC6A4 (0.42) CYP1A2SLC6A4
SCHEMBL15660493 0.77 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3TLR4
SCHEMBL4063122 0.77 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3TLR4
Hydrogen Peroxide SCHEMBL14842506 0.77 MCL1 (0.53) MAPTKDM4EMCL1SLC18A3TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527130-B Synthesis method of alpha-amide, alpha-aryl quaternary carboketone compound 兰州大学 2023-07-18 CN disclosed
CN-113527130-A Synthetic method of alpha-amide and alpha-aryl quaternary carbon ketone compound 兰州大学 2021-10-22 CN disclosed
CN-109232149-B Synthetic method of alpha-fluoro-alpha-substituted ketone with fluorine-containing quaternary carbon central structure 兰州大学 2021-04-02 CN disclosed
EP-3515914-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BeiGene, Ltd. (KY) 2019-07-31 EP disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
CN-106632200-A Synthesis method of alpha-nitrocycloalkanone 兰州大学 2017-05-10 CN disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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 (1 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MAPT 2013/4885CYP1A2 1655/4885RECQL 114/4885

“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.