SCHEMBL3597526

SCHEMBL3597526

Cc1c2c(c(C(O)c3ccccc3)c(C)c1NC(=O)CC(C)(C)C)OC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CCR5 P51681 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL3590506 0.91 KCNQ2 (0.36) KCNQ2HPGDMAPTRAB9AALDH1A1
SCHEMBL3599090 0.89 KCNQ2 (0.37) KCNQ2HPGDMAPTRAB9AGAA
SCHEMBL3600223 0.86 KCNQ2 (0.34) KCNQ2HPGDMAPTRAB9AGAA
SCHEMBL3602856 0.81 KCNQ2 (0.34) KCNQ2KMT2AMEN1L3MBTL1
SCHEMBL3601737 0.80 KCNQ2 (0.38) KCNQ2HPGDMAPTRAB9AGAA
SCHEMBL4088817 0.79 TP53 (0.34) MAPTRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL3604154 0.77 KCNQ2 (0.40) KCNQ2HPGDALDH1A1KDM4EKMT2A
SCHEMBL3589337 0.77 KCNQ2 (0.39) KCNQ2HPGDMAPTRAB9AGAA
SCHEMBL3607325 0.76 KCNQ2 (0.36) KCNQ2HPGDMAPTRAB9AALDH1A1
SCHEMBL3606164 0.75 KCNQ2 (0.35) KCNQ2HPGDRAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7343981-B2 Methods using fluoroketones for: extinguishing fire; preventing fire, and reducing or eliminating the flammability of a flammable working fluid E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-18 US claimed
JP-2007515989-A 2007-06-21 JP claimed
EP-1643933-A2 METHODS USING FLUOROKETONES FOR: EXTINGUISHING FIRE; PREVENTING FIRE; AND REDUCING OR ELIMINATING THE FLAMMABILITY OF A FLAMMABLE WORKING FLUID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-04-12 EP claimed
US-20050023007-A1 Methods using fluoroketones for: extinguishing fire; preventing fire; and reducing or eliminating the flammability of a flammable working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2005-02-03 US claimed
WO-2004112908-A2 METHODS USING FLUOROKETONES FOR: EXTINGUISHING FIRE; PREVENTING FIRE; AND REDUCING OR ELIMINATING THE FLAMMABILITY OF A FLAMMABLE WORKING FLUID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO claimed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-20100222443-A1 BLOWING AGENT COMPOSITION ARKEMA FRANCE (FR) 2010-09-02 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-7501074-B2 Haloketone refrigerant compositions and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2009-03-10 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
WO-2004112908-A3 METHODS USING FLUOROKETONES FOR: EXTINGUISHING FIRE; PREVENTING FIRE; AND REDUCING OR ELIMINATING THE FLAMMABILITY OF A FLAMMABLE WORKING FLUID DU PONT (US) 2005-02-10 WO disclosed
US-20050033095-A1 Fluoroketone compounds E. I. DU PONT DE NEMOURS AND COMPANY 2005-02-10 US disclosed
US-20050023007-A1 Methods using fluoroketones for: extinguishing fire; preventing fire; and reducing or eliminating the flammability of a flammable working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2005-02-03 US disclosed
US-20050023007-A1 Methods using fluoroketones for: extinguishing fire; preventing fire; and reducing or eliminating the flammability of a flammable working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2005-02-03 US disclosed
WO-2004112908-A2 METHODS USING FLUOROKETONES FOR: EXTINGUISHING FIRE; PREVENTING FIRE; AND REDUCING OR ELIMINATING THE FLAMMABILITY OF A FLAMMABLE WORKING FLUID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO disclosed
WO-2004112908-A2 METHODS USING FLUOROKETONES FOR: EXTINGUISHING FIRE; PREVENTING FIRE; AND REDUCING OR ELIMINATING THE FLAMMABILITY OF A FLAMMABLE WORKING FLUID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO disclosed
WO-2004113260-A2 FLUOROKETONE COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO disclosed
WO-2004113260-A2 FLUOROKETONE COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 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 (2 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KCNQ2 630/4885HPGD 1416/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885HPGD 1416/4885MAPT 4392/4885

“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.