SCHEMBL2543232

SCHEMBL2543232

CCCC(C)(C)P(c1ccc(OC)cc1)C(C)(C)CCC.COc1ccc(P(C(C)(C)C)C(C)(C)C)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A1 P04798 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP1B1 Q16678 3/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2546527 0.88 CA12 (0.43) HDAC3HDAC1HDAC2CA12CA1
SCHEMBL3824445 0.83 CA1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3822579 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29590251 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29670263 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20526341 0.76 CA12 (0.43) HDAC3HDAC1HDAC2CA12CA1
SCHEMBL2887388 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2884202 0.72 ESR1 (0.32)
SCHEMBL2551893 0.71 CYP3A4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL2550095 0.70 CA1 (0.44) CA12CA1CA2CA7CA9

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 10 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
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

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 HDAC3 3785/4885HDAC1 2977/4885HDAC2 3474/4885

“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.