SCHEMBL4428859

SCHEMBL4428859

CC(C)(C)P(c1ccccc1-c1ccccc1-c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DPP4 P27487 1/20 0.32
BACE1 P56817 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP2B6 P20813 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
SCHEMBL29353415 0.92 ALDH1A1 (0.38) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL56503 0.92 ALDH1A1 (0.38) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL2249411 0.90 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL18096530 0.90 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL2642874 0.90 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
Hydrochloric Acid SCHEMBL705644 0.90 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
Hydrochloric Acid SCHEMBL15608549 0.88 ALDH1A1 (0.35) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL29492107 0.87 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL333685 0.87 ALDH1A1 (0.30) ALDH1A1HSD17B10
Dimethylamine SCHEMBL25241553 0.86 ALDH1A1 (0.34) PTGS2ALDH1A1HSD17B10CYP2A6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674279-B Aryl substituted biphenyl, pyrroles, indoles or dinaphthalene type monophosphorus ligand preparation method 南京大学 2018-06-05 CN disclosed
CN-106674279-A Preparation method for aryl-substituted biphenyl, pyrrole, indol or binaphthyl monophosphine ligand 南京大学 2017-05-17 CN 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
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP 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-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP 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-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 WO disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 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 (4 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-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 PTGS2 1882/4885ALDH1A1 2074/4885HSD17B10 1742/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 PTGS2 1882/4885ALDH1A1 2074/4885HSD17B10 1742/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 PTGS2 1645/4885ALDH1A1 1766/4885HSD17B10 1715/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 PTGS2 1882/4885ALDH1A1 2074/4885HSD17B10 1742/4885

“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.