SCHEMBL2212119

SCHEMBL2212119

CCOC(=O)[C@H](C)Oc1c(Cl)ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)c1-c1c(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)ccc(Cl)c1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PPOX P50336 1/20 0.34
NPC1 O15118 1/20 0.34
RORA P35398 1/20 0.34
NR5A1 Q13285 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 2/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2212121 1.00 KDM4E (0.34) KDM4EPPOXNPC1RORANR5A1
SCHEMBL2211157 0.95 PPOX (0.36) KDM4EPPOXNPC1RORANR5A1
SCHEMBL2211161 0.95 PPOX (0.36) KDM4EPPOXNPC1RORANR5A1
SCHEMBL2210803 0.90 KMT2A (0.40) KDM4ERORANR5A1KMT2AMEN1
SCHEMBL2211362 0.90 MEN1 (0.34) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL2211360 0.90 MEN1 (0.34) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL2210807 0.90 KMT2A (0.40) KDM4ERORANR5A1KMT2AMEN1
SCHEMBL4365935 0.87 PPOX (0.33) KDM4EPPOXNPC1RORANR5A1
SCHEMBL4365933 0.87 PPOX (0.33) KDM4EPPOXNPC1RORANR5A1
SCHEMBL2210116 0.84 KMT2A (0.43) 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 2 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

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-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES PHOSPHO1, AGPS, GGPS1 KDM4E 3985/4885PPOX 173/4885NPC1 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.