SCHEMBL3735653

SCHEMBL3735653

CCN(CC)c1ccc(C2(c3c(C)n(CCOC)c4ccccc34)OC(=O)c3ccccc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
POLB P06746 2/20 0.39
ALOX12 P18054 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP3A4 P08684 2/20 0.36
RPS6KA2 Q15349 1/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL10657528 0.92 MAPT (0.39) MAPTLMNANPSR1POLBALOX12
SCHEMBL10656352 0.92 MAPT (0.37) MAPTLMNANPSR1POLBALOX12
SCHEMBL10658993 0.91 LMNA (0.41) MAPTLMNANPSR1POLBALOX12
SCHEMBL10658014 0.91 MEN1 (0.41) MAPTLMNANPSR1POLBALOX12
SCHEMBL10660187 0.90 MAPT (0.33) MAPTLMNANPSR1POLBALOX12
SCHEMBL4182363 0.89 MAPT (0.43) MAPTLMNANPSR1POLBALOX12
SCHEMBL5697823 0.88 MAPT (0.39) MAPTLMNANPSR1POLBALOX12
SCHEMBL10660608 0.88 POLB (0.34) MAPTNPSR1POLBCYP3A4PTGER4
SCHEMBL1370527 0.87 MAPT (0.44) MAPTLMNANPSR1POLBALOX12
SCHEMBL29460366 0.87 MAPT (0.44) MAPTLMNANPSR1POLBALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532610-B1 METHOD FOR PRODUCING ALDEHYDE AJINOMOTO KK (JP) 2023-09-27 EP claimed
WO-2023111055-A1 PARTICULARLY SUITABLE 3-DESOXYARABINOHEPTULOSANATE-7-PHOSPHATE SYNTHASE FOR THE FERMENTATIVE PREPARATION OF ORTHO-AMINOBENZOIC ACID COVESTRO DEUTSCHLAND AG (DE) 2023-06-22 WO claimed
EP-3022291-B1 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF VANILLIN OR VANILLIN BETA-D-GLUCOSIDE INT FLAVORS & FRAGRANCES INC (US) 2023-06-07 EP claimed
EP-3514226-B1 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF VANILLIN OR VANILLIN BETA-D-GLUCOSIDE INT FLAVORS & FRAGRANCES INC (US) 2023-03-29 EP claimed
EP-3438245-B1 TRANSFORMANT, AND METHOD FOR PRODUCING PROTOCATECHUIC ACID OR SALT THEREOF USING SAME RESEARCH INSTITUTE OF INNOVATIVE TECH FOR THE EARTH (JP) 2023-01-11 EP claimed
WO-2016184890-A1 SYNTHETIC ORGANELLES IN YEAST Johann Wolfgang Goethe-Universität (DE) 2016-11-24 WO claimed
EP-2521770-B1 METHODS FOR PRODUCING ISOMERS OF MUCONIC ACID AND MUCONATE SALTS AMYRIS INC (US) 2015-11-25 EP claimed
EP-0722488-B1 SYNTHESIS OF CATECHOL FROM BIOMASS-DERIVED CARBON SOURCES PURDUE RESEARCH FOUNDATION (US) 2004-06-30 EP claimed
EP-0934062-B1 ANTIOXIDANT ACTIVITY OF 3-DEHYDROSHIKIMATES UNIV MICHIGAN STATE (US) 2002-03-27 EP claimed
US-4660060-A COLOR-FORMING FOR TRANSFER IMAGING; XEROGRAPHY THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-21 US claimed
WO-2023111055-A1 PARTICULARLY SUITABLE 3-DESOXYARABINOHEPTULOSANATE-7-PHOSPHATE SYNTHASE FOR THE FERMENTATIVE PREPARATION OF ORTHO-AMINOBENZOIC ACID COVESTRO DEUTSCHLAND AG (DE) 2023-06-22 WO disclosed
WO-2022161569-A1 PRODUCTION OF 3,4-DIHYDROXYBENZOATE FROM D-XYLOSE USING CORYNEFORM BACTERIA Forschungszentrum Jülich GmbH (DE) 2022-08-04 WO disclosed
WO-2016184890-A1 SYNTHETIC ORGANELLES IN YEAST Johann Wolfgang Goethe-Universität (DE) 2016-11-24 WO disclosed
EP-1720976-B1 METHOD AND DEVICE FOR THERMAL CONDITIONING OF A CELL INSILICO BIOTECHNOLOGY AG (DE) 2014-10-08 EP disclosed
US-8182596-B2 Discolorable ink composition and writing utensils SAKURA COLOR PRODUCTS CORPORATION (JP) 2012-05-22 US disclosed
WO-2002000901-A1 CHANGING THE FINE CHEMICAL CONTENT IN ORGANISMS BY GENETICALLY MODIFYING THE SHIKIMATE PATHWAY SUNGENE GMBH & CO. KGAA (DE) 2002-01-03 WO disclosed
US-4788285-A COLOR FORMERS IN IMAGER TRANSFERRING, CARBONLESS COPYING, THERMAL RESPONISVE MARKING HILTON DAVID CHEMICAL CO. 1988-11-29 US disclosed
US-4736027-A COLOR FORMING HILTON DAVIS CHEMICAL CO. (US) 1988-04-05 US disclosed
US-4660060-A COLOR-FORMING FOR TRANSFER IMAGING; XEROGRAPHY THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-21 US disclosed
EP-0206114-A2 Novel substituted phthalides and furopyridinones, preparation thereof and use thereof as color formers HILTON-DAVIS CHEMICAL CO. (US) 1986-12-30 EP disclosed