SCHEMBL4432428

SCHEMBL4432428

Cc1cc(C)cc(C(C)C(=O)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ERN1 O75460 1/20 0.32
AR P10275 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL27774456 0.91 TPMT (0.42) TPMTPSEN1PSEN2APH1BNCSTN
SCHEMBL5846200 0.79 PTGS2 (0.54) TPMTPTGS2ALDH1A1TSHRHPGD
SCHEMBL8960142 0.79 PTGS2 (0.54) TPMTPTGS2ALDH1A1TSHRHPGD
SCHEMBL24519245 0.77 ALOX5 (0.46) PTGS2ALDH1A1TSHR
SCHEMBL27964908 0.77 EPHX1 (0.46) TPMTPSEN1PSEN2APH1BNCSTN
SCHEMBL5846489 0.77 TPMT (0.39) TPMTPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5846495 0.77 PTGS2 (0.53) TPMTPTGS2ALDH1A1TSHRHPGD
SCHEMBL8960078 0.74 MT-CO2 (0.47) TPMTPSEN1PSEN2APH1BNCSTN
SCHEMBL8960086 0.74 MT-CO2 (0.47) TPMTPSEN1PSEN2APH1BNCSTN
SCHEMBL14983577 0.72 CYP1A2 (0.46) PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 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-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
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 (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 TPMT 3321/4885PSEN1 3926/4885PSEN2 3213/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 TPMT 3321/4885PSEN1 3926/4885PSEN2 3213/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 TPMT 2860/4885PSEN1 4013/4885PSEN2 3278/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 TPMT 3321/4885PSEN1 3926/4885PSEN2 3213/4885

“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.