SCHEMBL7526444

SCHEMBL7526444

O=[P](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 1/20 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
SCHEMBL28528072 0.89 CYP1A1 (0.44) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL29149633 0.80 TSHR (0.52) ALDH1A1TSHRKIF11
SCHEMBL287478 0.78 ALDH1A1 (0.48) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL15661104 0.78 ALDH1A1 (0.48) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL63468 0.76 ALDH1A1 (0.67) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL31325622 0.76 ALDH1A1 (0.46) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL5713308 0.76 ALDH1A1 (0.46) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL7798387 0.74 CES2 (0.46) CES2ALDH1A1TSHR
SCHEMBL1305145 0.74 TSHR (0.48) ALDH1A1TSHRKIF11SRD5A2CA1
SCHEMBL19968564 0.74 ALDH1A1 (0.43) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031639-B Preparation method of biphospide with P-O-C-P structure 烟台大学 2024-07-12 CN claimed
CN-113583042-B Preparation method of phosphoryl fluoride compound 烟台大学 2023-08-29 CN claimed
CN-113583042-A Preparation method of phosphoryl fluoride compound 烟台大学 2021-11-02 CN claimed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 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
CN-114031639-B Preparation method of biphospide with P-O-C-P structure 烟台大学 2024-07-12 CN disclosed
CN-113583042-B Preparation method of phosphoryl fluoride compound 烟台大学 2023-08-29 CN disclosed
CN-114031639-A Preparation method of biphosphonate with P-O-C-P structure 烟台大学 2022-02-11 CN disclosed
CN-113583042-A Preparation method of phosphoryl fluoride compound 烟台大学 2021-11-02 CN disclosed
CN-109096331-B Method for preparing o-diaryl phosphoryl substituted phenol derivative 湖南理工学院 2021-10-01 CN disclosed
US-10328089-B2 Fumagillol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-25 US disclosed
US-20180050051-A1 FUMAGILLOL DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-02-22 US disclosed
US-9827255-B2 Fumagillol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-28 US disclosed
EP-3233870-A1 FUMAGILLOL DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-10-25 EP disclosed
US-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-17 US disclosed
US-20160175332-A1 FUMAGILLOL DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2016-06-23 US disclosed
WO-2016100778-A1 FUMAGILLOL DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-23 WO 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
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 (4 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-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF NSFL1C, TST, NCL CES2 2520/4885CES1 2909/4885ALDH1A1 1341/4885
US-20160175332-A1 FUMAGILLOL DERIVATIVES SULT2A1, METAP2, FAH CES2 335/4885CES1 332/4885ALDH1A1 315/4885
US-20180050051-A1 FUMAGILLOL DERIVATIVES SULT2A1, METAP2, FAH CES2 335/4885CES1 332/4885ALDH1A1 315/4885
US-10328089-B2 Fumagillol derivatives SULT2A1, METAP2, FAH CES2 335/4885CES1 332/4885ALDH1A1 315/4885

“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.