SCHEMBL2885044

SCHEMBL2885044

CCCC(C)(C)P(c1ccccc1OC)C(C)(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
NOS3 P29474 2/20 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
SCHEMBL2547660 0.87 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL2884853 0.83 ESR1 (0.30) GAA
SCHEMBL2546527 0.79 CA12 (0.43) CA1CA2CA7CA9CA12
SCHEMBL2544530 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29589374 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2548471 0.77 TSHR (0.33) TSHR
SCHEMBL29670206 0.76 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL2550779 0.72 ALDH1A1 (0.35) DRD2ALDH1A1TSHRTDP1KDM4E
SCHEMBL20591130 0.72 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL2550614 0.72 PDCD1 (0.33) ALDH1A1MAPK1

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
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
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 CA1 1143/4885CA2 1630/4885CA7 730/4885

“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.