SCHEMBL4453344

SCHEMBL4453344

Cc1cc(C)cc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 1/20 0.47
MAPT P10636 2/20 0.46
LTA4H P09960 1/20 0.46
KIF11 P52732 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
TEAD1 P28347 1/20 0.45

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
SCHEMBL12879325 0.91 AR (0.55) LMNAALDH1A1POLBKDM4EL3MBTL1
SCHEMBL12676794 0.88 AR (0.52) LMNAALDH1A1POLBKDM4EL3MBTL1
SCHEMBL9798371 0.87 LTA4H (0.54) ALDH1A1POLBKDM4EL3MBTL1NPSR1
SCHEMBL8302537 0.86 LTA4H (0.52) ALDH1A1POLBKDM4EL3MBTL1NPSR1
SCHEMBL8307405 0.86 AR (0.54) LMNAALDH1A1POLBKDM4EL3MBTL1
SCHEMBL27579381 0.83 LTA4H (0.59) ALDH1A1POLBL3MBTL1NPSR1CYP1A2
SCHEMBL21958839 0.82 LMNA (0.46) LMNAALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL13216570 0.81 CYP2C9 (0.51) ALDH1A1POLBKDM4EL3MBTL1NPSR1
SCHEMBL8507324 0.81 MAPT (0.56) LMNAALDH1A1POLBKDM4EL3MBTL1
SCHEMBL6489049 0.81 NPSR1 (0.48) LMNAALDH1A1POLBKDM4EL3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043970-B1 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NAT RECH SCIENT (FR) 2018-04-18 EP disclosed
EP-2043970-B1 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NAT RECH SCIENT (FR) 2018-04-18 EP disclosed
US-9162953-B2 Iron-copper co-catalyzed process for carbon-carbon or carbon-heteroatom bonding CENTRE NATIONALE DE RECHERCHE SCIENTIFIQUE (FR) 2015-10-20 US disclosed
US-9162953-B2 Iron-copper co-catalyzed process for carbon-carbon or carbon-heteroatom bonding CENTRE NATIONALE DE RECHERCHE SCIENTIFIQUE (FR) 2015-10-20 US disclosed
US-9162953-B2 Iron-copper co-catalyzed process for carbon-carbon or carbon-heteroatom bonding CENTRE NATIONALE DE RECHERCHE SCIENTIFIQUE (FR) 2015-10-20 US disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
EP-2043970-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-04-08 EP disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 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 (1 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-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding FECH, HCCS, SOD1 LMNA 4334/4885ALDH1A1 1472/4885POLB 2656/4885

“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.