SCHEMBL3947196

SCHEMBL3947196

Cc1cccc(C)c1Nc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
RAPGEF4 Q8WZA2 2/20 0.42
DRD1 P21728 2/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
AKR1B10 O60218 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL13800677 0.87 RAPGEF4 (0.51) RAPGEF4TDP1MEN1KMT2AALDH1A1
SCHEMBL13800740 0.86 SLC2A1 (0.41) PTGS2DRD1CYP3A4TDP1MEN1
SCHEMBL2044796 0.81 TDP1 (0.50) PTGS2DRD1CYP3A4TDP1MEN1
SCHEMBL3952888 0.79 LMNA (0.40) DRD1CYP3A4TDP1KMT2ALMNA
SCHEMBL1921293 0.77 RAPGEF4 (0.57) PTGS2RAPGEF4MEN1KMT2AALDH1A1
SCHEMBL4136434 0.76 PTGS2 (0.43) PTGS2RAPGEF4MEN1KMT2AALDH1A1
SCHEMBL29053285 0.76 MAPT (0.48) PTGS2DRD1CYP3A4TDP1MEN1
SCHEMBL30842833 0.76 MAPT (0.48) PTGS2DRD1CYP3A4TDP1MEN1
SCHEMBL49858 0.75 CYP3A4 (0.52) DRD1CYP3A4TDP1ALDH1A1LMNA
SCHEMBL4800221 0.75 RAPGEF4 (0.55) PTGS2RAPGEF4TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265488-B Iridium anticancer complex containing phosphinimine bidentate chelating ligand and preparation method and application thereof 曲阜师范大学 2021-03-02 CN claimed
US-7553924-B2 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (RW) 2009-06-30 US claimed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US claimed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US claimed
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US claimed
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US claimed
US-20050137382-A1 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-06-23 US claimed
CN-109265488-B Iridium anticancer complex containing phosphinimine bidentate chelating ligand and preparation method and application thereof 曲阜师范大学 2021-03-02 CN disclosed
US-7553924-B2 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (RW) 2009-06-30 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US disclosed
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050137382-A1 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-06-23 US 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 PTGS2 718/4885RAPGEF4 3059/4885DRD1 216/4885
US-20050137382-A1 Catalytic carbon-carbon bond formation CBR1, NR1H2, NR1H3 PTGS2 675/4885RAPGEF4 3549/4885DRD1 319/4885
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NCOR2, NCOR1, NR1I2 PTGS2 763/4885RAPGEF4 2877/4885DRD1 321/4885
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation CBR1, NR2C2, NCOR2 PTGS2 778/4885RAPGEF4 3268/4885DRD1 456/4885

“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.