SCHEMBL4609480

SCHEMBL4609480

O=C(Oc1ccccc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GGPS1 O95749 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
FABP7 O15540 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4610119 0.84 ALDH1A1 (0.44) ALDH1A1GGPS1MAPTCYP2C9CYP2C19
SCHEMBL18177969 0.81 CYP2C9 (0.39) ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL1563400 0.78 NR1I2 (0.51) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL4611213 0.77 TSHR (0.55) MAOBALDH1A1MEN1MAPTKMT2A
SCHEMBL4611045 0.77 CES1 (0.41) HTTSMN1; SMN2ALDH1A1MEN1S1PR2
SCHEMBL4612087 0.74 CYP3A4 (0.42) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL17169186 0.73 ALDH1A1 (0.61) HTTSMN1; SMN2ALDH1A1GGPS1CYP2C9
Phenyl Diphenoxyphosphinecarboxylate Oxide SCHEMBL4610556 0.73 SRC (0.54) MAPTCYP2C9CYP2C19
SCHEMBL4610697 0.73 FAAH (0.47)
SCHEMBL24072545 0.73 SMN1; SMN2 (0.49) HTTSMN1; SMN2ALDH1A1MEN1GAA

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
US-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same UBE INDUSTRIES, LTD. (JP) 2019-08-06 US disclosed
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 US disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO 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-10374256-B2 Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same HCN2, PHOSPHO1, HCN1 HTT 3372/4885MAOB 4162/4885SMN1; SMN2 1393/4885
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 HTT 3372/4885MAOB 4162/4885SMN1; SMN2 1393/4885

“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.