SCHEMBL2550169

SCHEMBL2550169

CCCC(C)(C)P(c1ccc2ccccc2c1)C(C)(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.40
CYP1A2 P05177 4/20 0.40
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL2552546 0.87 CYP2A6 (0.44) CYP2A6CYP1A2TDP1SLC6A4SLC6A2
SCHEMBL2885167 0.80
SCHEMBL2884202 0.79 ESR1 (0.32) TDP1
SCHEMBL29589698 0.77 CYP2A6 (0.43) CYP2A6CYP1A2TDP1SLC6A4SLC6A2
SCHEMBL2548298 0.77 CYP3A4 (0.35) TDP1SLC6A2ALDH1A1CYP3A4CYP2C19
SCHEMBL2546601 0.77 CYP2A6 (0.43) CYP2A6CYP1A2TDP1SLC6A4SLC6A2
SCHEMBL2550089 0.75 MAOA (0.33) SMN1; SMN2
SCHEMBL2545943 0.72 HTR2A (0.36) CYP2A6CYP1A2NPC1RAB9AHTR2A
SCHEMBL2885908 0.72 MEN1 (0.42) CYP2A6CYP1A2TDP1SLC6A4SLC6A2
SCHEMBL2546914 0.72 TSHR (0.34) TDP1ALDH1A1

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 CYP2A6 2442/4885CYP1A2 1917/4885TDP1 1944/4885

“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.