SCHEMBL2550800

SCHEMBL2550800

CC(C)(C)P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
IDO1 P14902 2/20 0.34
MAPT P10636 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
AR P10275 1/20 0.33
XPO1 O14980 1/20 0.32
TACR1 P25103 1/20 0.32
ADRB1 P08588 1/20 0.31
IKBKB O14920 1/20 0.31
PDE2A O00408 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
KIF11 P52732 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL16694547 0.80 GABRA1 (0.46) MAPTRXRARXRBRXRG
SCHEMBL2548483 0.79 ALDH1A1 (0.36) CES2IDO1MAPTRAPGEF4TACR1
SCHEMBL29670257 0.78 GABRA1 (0.44) MAPTRXRARXRBRXRG
SCHEMBL2551861 0.76 ALDH1A1 (0.40) CES2KIF11
SCHEMBL2548481 0.76 IDO1 (0.32) CES2IDO1TACR1ADRB1
SCHEMBL2227681 0.75 CES2 (0.41) CES2IDO1MAPTRAPGEF4AR
SCHEMBL14811633 0.74 ALDH1A1 (0.39) CES2KIF11
SCHEMBL383565 0.74 CES2 (0.44) CES2IDO1MAPTRAPGEF4XPO1
SCHEMBL17448589 0.73 CES2 (0.39) CES2IDO1MAPTRAPGEF4XPO1
Hydrochloric Acid SCHEMBL9938710 0.73 KIF11 (0.40) CES2PDE2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552928-B1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST. CHROMAFORA AB (SE) 2015-04-15 EP disclosed
US-8735629-B2 Process for the reduction of a tertiary phosphine oxide to the corresponding tertiary phosphine in the presence of a catalyst and use of a tertiary phosphine for reducing a tertiary phosphine oxide in the presence of a catalyst CHROMAFORA AB (SE) 2014-05-27 US disclosed
US-8426647-B2 2013-04-23 US disclosed
EP-2552928-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST Chromafora AB (SE) 2013-02-06 EP disclosed
US-20130012725-A1 PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST CHROMAFORA AB (SE) 2013-01-10 US disclosed
WO-2011123037-A1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST CHROMAFORA AB (SE) 2011-10-06 WO disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP 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-20130012725-A1 PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST PSPH, PNPO, PHOSPHO1 CES2 903/4885IDO1 2362/4885MAPT 4143/4885

“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.