SCHEMBL2211161

SCHEMBL2211161

CCOC(=O)C(C)Oc1c(Cl)ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)c1-c1c(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)ccc(Cl)c1OC(C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RORA P35398 1/20 0.36
NR5A1 Q13285 1/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2211157 1.00 PPOX (0.36) PPOXKDM4ENPC1RORANR5A1
SCHEMBL2212119 0.95 KDM4E (0.34) PPOXKDM4ENPC1RORANR5A1
SCHEMBL2212121 0.95 KDM4E (0.34) PPOXKDM4ENPC1RORANR5A1
SCHEMBL2210113 0.89 KMT2A (0.43) KDM4ERORANR5A1KMT2AMEN1
SCHEMBL2210116 0.89 KMT2A (0.43) KDM4ERORANR5A1KMT2AMEN1
SCHEMBL2211060 0.89 MEN1 (0.37) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL2211058 0.89 MEN1 (0.37) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL4365933 0.88 PPOX (0.33) PPOXKDM4ENPC1RORANR5A1
SCHEMBL4365935 0.88 PPOX (0.33) PPOXKDM4ENPC1RORANR5A1
SCHEMBL2210803 0.84 KMT2A (0.40) KDM4ERORANR5A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981827-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-7625443-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses LIGAND CHEMIE GMBH (DE) 2005-04-21 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 (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-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES PHOSPHO1, AGPS, GGPS1 PPOX 173/4885KDM4E 3985/4885NPC1 3097/4885
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses PHOSPHO1, AGPS, GGPS1 PPOX 173/4885KDM4E 3985/4885NPC1 3097/4885

“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.