SCHEMBL1305102

SCHEMBL1305102

c1ccc2cc(P(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3c(P(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc4ccccc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CYP2A6 P11509 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HPRT1 P00492 1/20 0.37
WDR5 P61964 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
DNMT1 P26358 1/20 0.34
CYP1A2 P05177 2/20 0.33
GSTP1 P09211 1/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL301537 0.95 MAPT (0.37) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL10323632 0.82 ALDH1A1 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29350037 0.82 ALDH1A1 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL5107 0.82 ALDH1A1 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL29496111 0.82 ALDH1A1 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL146878 0.82 ALDH1A1 (0.44) MAPTCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL6932286 0.82
SCHEMBL7521120 0.82 GPR84 (0.32) WDR5GPR84
SCHEMBL5149451 0.81 ALDH1A1 (0.42) MAPTCYP2A6ALDH1A1HSD17B10TDP1
Phosphine SCHEMBL8373615 0.81 ALDH1A1 (0.42) MAPTCYP2A6ALDH1A1HSD17B10TDP1

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 33 patents — showing the first 20. 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-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
EP-0841343-B1 Ruthenium-optically active phosphine complex, process for the preparation thereof and process for the preparation of optically active 4-methyl-2-oxetanone using same TAKASAGO PERFUMERY CO LTD (JP) 2003-02-05 EP disclosed
US-6043380-A FOR ASYMMETRICALLY HYDROGENATING 4-METHYLENE-2-OXETANONE INTO OPTICALLY ACTIVE 4-METHYL-2-OXETANONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-03-28 US disclosed
EP-0955303-A2 Ruthenium-iodo-optically active phosphine complex Takasago International Corporation (JP) 1999-11-10 EP disclosed
US-5981782-A EXHIBITS HIGH CATALYTIC ACTIVITY AND ALLOWS ASYMMETRIC REACTION IN A HIGH ASYMMETRIC YIELD TO OBTAIN A REACTION PRODUCT HAVING A HIGH OPTICAL PURITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-11-09 US disclosed
US-5981771-A INTERMEDIATE FOR RAW MATERIAL OF POLYMER, SYNTHETIC MATERIAL FOR MEDICINES, LIQUID CRYSTALS; ASYMMETRIC HYDROGENATION OF 4-METHYLENE-2-OXETANONE IN THE PRESENCE OF RUTHENIUM-IODO-OPTICALLY ACTIVE PHOSPHINE CATALYST COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-11-09 US disclosed
US-5922918-A Method for making an optically active diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-07-13 US disclosed
EP-0841343-A2 Ruthenium-optically active phosphine complex, process for the preparation thereof and process for the preparation of optically active 4-methyl-2-oxetanone using same Takasago International Corporation (JP) 1998-05-13 EP disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP disclosed
US-5693868-A REACTING 2,2'-BIS(TRIFLUOROMETHANESULFONYLOXY)-1,1-BINAPHTHYL WITH A PHOSPHINE OXIDE IN THE PRESENCE OF A TRANSITION METAL-PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-12-02 US disclosed
EP-0771812-A1 Method for producing an optically active diphosphine Takasago International Corporation (JP) 1997-05-07 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 (2 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-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS H1-10, ITPA, RER1 MAPT 4502/4885CYP2A6 3449/4885ALDH1A1 4580/4885
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 MAPT 4143/4885CYP2A6 2442/4885ALDH1A1 2830/4885

“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.