SCHEMBL4552955

SCHEMBL4552955

CN(C)c1ccc2ccccc2c1-c1c(P(C2CCCCC2)C2CCCCC2)ccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 2/20 0.31
MPI P34949 1/20 0.31
MCL1 Q07820 1/20 0.31
OPRK1 P41145 1/20 0.30
CHEK1 O14757 1/20 0.30
NEK2 P51955 1/20 0.30
LIMK1 P53667 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL160594 0.87 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30391805 0.87 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31566355 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL164194 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16811762 0.82 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1365289 0.79 MAPT (0.58) ALDH1A1MAPT
SCHEMBL7544297 0.78 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5608737 0.78 DNMT1 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17758852 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9350829 0.76 DNMT1 (0.39) ALDH1A1HSD17B10SLC6A3MAPTMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-1654055-B1 MICROENCAPSULATED CATALYST-LIGAND SYSTEM, METHODS OF PREPARATION AND METHODS OF USE THEREOF REAXA LTD (GB) 2010-09-22 EP disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-6946560-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-20 US disclosed
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 US disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (5 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 ALDH1A1 3460/4885CYP1A2 89/4885CYP2D6 36/4885
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885CYP1A2 771/4885CYP2D6 91/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885CYP1A2 771/4885CYP2D6 91/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 ALDH1A1 1766/4885CYP1A2 713/4885CYP2D6 58/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885CYP1A2 771/4885CYP2D6 91/4885

“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.