SCHEMBL6933048

SCHEMBL6933048

O=[PH](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 5/20 0.42
EPHX2 P34913 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GSK3B P49841 2/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL31047200 0.91 ALDH1A1 (0.54) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL28528070 0.89 BCHE (0.46) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL6262750 0.80 CES2 (0.48) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL63468 0.76 ALDH1A1 (0.67) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL1305142 0.74 TSHR (0.48) ALDH1A1TSHRKIF11SRD5A2CA1
SCHEMBL7798380 0.74 CES2 (0.46) CES2ALDH1A1TSHR
SCHEMBL7795640 0.72 CES2 (0.48) CES2ALDH1A1TSHRMGLLSRD5A2
SCHEMBL314635 0.71 NPSR1 (0.38) CES2CES1ALDH1A1KIF11CA1
SCHEMBL18242051 0.70 TRPV6 (0.48) CES2CES1ALDH1A1TSHRKIF11
Iodide SCHEMBL29093539 0.70 ALDH1A1 (0.59) CES2CES1ALDH1A1TSHRKIF11

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN claimed
CN-113457746-B Catalyst and preparation method and application thereof 南方科技大学 2023-08-22 CN claimed
CN-113457746-A Catalyst and preparation method and application thereof 南方科技大学 2021-10-01 CN claimed
CN-109096331-B Method for preparing o-diaryl phosphoryl substituted phenol derivative 湖南理工学院 2021-10-01 CN claimed
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN disclosed
CN-118652272-A Method for synthesizing thiophosphorus/phosphinic acid ester compound 中国人民解放军军事科学院防化研究院 2024-09-17 CN disclosed
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-06-18 US disclosed
CN-112654630-B Tetradentate diaminodiphosphine ligands, transition metal complexes, methods for their production and use thereof 高砂香料工业株式会社 2024-05-24 CN disclosed
CN-117659082-A Method for preparing chlorophosphine based on tetrachlorosilane 浙江扬帆新材料股份有限公司 2024-03-08 CN disclosed
CN-113457746-B Catalyst and preparation method and application thereof 南方科技大学 2023-08-22 CN disclosed
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-07-13 US disclosed
CN-116237068-A Preparation method of 2-phosphonomethyl phenol compound 广西中烟工业有限责任公司 2023-06-09 CN disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
EP-0771812-B1 Method for producing an optically active diphosphine TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
EP-0754696-B1 Unsymmetric diphosphine monoxide compounds and a process for preparing diphosphine compounds TAKASAGO PERFUMERY CO LTD (JP) 2002-01-16 EP disclosed
US-5808162-A Chiral unsymmetric diphosphine compound and transition metal complex containing the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-15 US 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
EP-0754696-A1 Chiral unsymmetric diphosphine compounds and transition metal complexes containing them as ligands Takasago International Corporation (JP) 1997-01-22 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 (3 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-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME ADH4, ADH5, PF4 CES2 2676/4885CES1 3668/4885ALDH1A1 219/4885
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same ADH4, ADH5, PF4 CES2 2676/4885CES1 3668/4885ALDH1A1 219/4885
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A CES2 720/4885CES1 2066/4885ALDH1A1 495/4885

“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.