SCHEMBL2884978

SCHEMBL2884978

CCC(C)(C)P(c1ccc(Cl)cc1)C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP19A1 P11511 3/20 0.36
TSHR P16473 3/20 0.33
CYP1A2 P05177 3/20 0.33
PPARA Q07869 3/20 0.33
CYP3A4 P08684 2/20 0.33
ABCB11 O95342 1/20 0.33
PMP22 Q01453 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2884191 0.91 KCNN4 (0.31) TSHRTDP1
SCHEMBL2885908 0.83 MEN1 (0.42) HTR2ASLC6A2SLC6A3SLC6A4HRH1
SCHEMBL2544920 0.82 TSHR (0.37) MEN1KMT2ALMNATSHRTDP1
SCHEMBL2545629 0.81 CYP3A4 (0.39) SLC6A2MEN1KMT2ALMNATSHR
SCHEMBL2884648 0.80 ALDH1A1 (0.35) CYP2A6CYP1A2CYP3A4TDP1CYP2D6
SCHEMBL2547208 0.80 KDM4E (0.36) L3MBTL1LMNACYP1A2TDP1IDO1
SCHEMBL2544647 0.80 TSHR (0.41) LMNATSHRMAPT
SCHEMBL2550095 0.77 CA1 (0.44) L3MBTL1LMNATSHRCYP3A4TDP1
SCHEMBL3817848 0.77 ALDH1A1 (0.39) MEN1KMT2ALMNATSHRCYP1A2
SCHEMBL2550429 0.75 LMNA (0.44) HTR2ASLC6A2SLC6A3SLC6A4HRH1

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 HTR2A 4255/4885SLC6A2 4101/4885SLC6A3 3132/4885

“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.