SCHEMBL2885129

SCHEMBL2885129

CCC(C)(C)P(c1cc2ccccc2c2ccccc12)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP1B1 Q16678 2/20 0.38
HIF1A Q16665 2/20 0.38
HPRT1 P00492 3/20 0.35
CYP1A2 P05177 4/20 0.33
HPGD P15428 3/20 0.33
CYP2A6 P11509 2/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAD52 P43351 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A1 P04798 1/20 0.32
ERBB2 P04626 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
SCHEMBL2549105 0.88 TRPM4 (0.35) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2548800 0.83 TRPM4 (0.42) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2547962 0.78 HTR2A (0.39) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2550357 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2HPGDCYP2A6
SCHEMBL2882747 0.74 ALDH1A1 (0.32) ALDH1A1TSHRTDP1TAAR1MAPK1
SCHEMBL8406649 0.72 ALDH1A1 (0.50) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL28429887 0.69 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2879337 0.69 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2542560 0.67 ACHE (0.38) ALDH1A1TSHRTDP1HTR2AMAPT
SCHEMBL2552546 0.67 CYP2A6 (0.44) ALDH1A1HSD17B10HIF1ACYP1A2CYP2A6

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 9 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
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 TRPM4 4136/4885ALDH1A1 2830/4885HSD17B10 2334/4885

“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.