SCHEMBL6130232

SCHEMBL6130232

COc1ccc(OC)c(P(=O)(c2ccccc2)c2ccccc2)c1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.43
ACHE P22303 1/20 0.40
CA2 P00918 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL8994708 0.78 KMT2A (0.49) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL8994715 0.76 KMT2A (0.49) HTTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL23494962 0.74 KMT2A (0.47) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL7616686 0.71 KMT2A (0.51) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL6130216 0.71 HDAC4 (0.45) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL6130205 0.71 KMT2A (0.48) HTTL3MBTL1KMT2AMEN1LMNA
SCHEMBL18486442 0.71 KMT2A (0.60) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL14754995 0.71 KMT2A (0.62) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL14259711 0.71 KMT2A (0.60) HTTL3MBTL1KMT2AMEN1CA2
SCHEMBL3803849 0.71 HTT (0.51) HTTL3MBTL1KMT2AMEN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341797-A4 ORTHO SUBSTITUTED CHIRAL PHOSPHINES AND PHOSPHINITES AND THEIR USE IN ASYMMETRIC CATAYLTIC REACTIONS PENN STATE RES FOUND (US) 2005-06-15 EP disclosed
CN-1610688-A Ortho-substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions PENN STATE RES FOUND (US) 2005-04-27 CN disclosed
US-6855657-B2 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2005-02-15 US disclosed
US-20040068126-A1 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION 2004-04-08 US disclosed
US-6653485-B2 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity THE PENN STATE RESEARCH FOUNDATION 2003-11-25 US disclosed
EP-1341797-A1 ORTHO SUBSTITUTED CHIRAL PHOSPHINES AND PHOSPHINITES AND THEIR USE IN ASYMMETRIC CATAYLTIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2003-09-10 EP disclosed
US-20020128501-A1 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity THE PENN STATE RESEARCH FOUNDATION 2002-09-12 US disclosed
WO-2002040491-A1 ORTHO SUBSTITUTED CHIRAL PHOSPHINES AND PHOSPHINITES AND THEIR USE IN ASYMMETRIC CATAYLTIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2002-05-23 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 (2 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-20040068126-A1 Ortho substituted chiral phosphines and phosphinites and their use in asymmetric catalytic reactions BCKDK, PDK3, HCK HTT 3022/4885L3MBTL1 1850/4885KMT2A 975/4885
US-20020128501-A1 Particularly effective in Ru-catalyzed asymmetric hydrogenation of beta-ketoesters to beta-hydroxyesters and ruthenium-catalyzed asymmetric hydrogenation of enamides to beta amino acids; catalyst selectivity HRH4, BCKDK, HRH3 HTT 2205/4885L3MBTL1 1954/4885KMT2A 1234/4885

“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.