SCHEMBL3742376

SCHEMBL3742376

CC(=O)Oc1ccccc1[I+]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL29432883 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL338196 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL87637 0.83 PTGS2 (0.57) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Iodide SCHEMBL30619798 0.81 PTGS2 (0.65) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Ethylene SCHEMBL28225928 0.79 PTGS2 (0.63) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL8676653 0.77 PTGS2 (0.61) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL19350102 0.77 PTGS2 (0.61) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL10496464 0.77 PTGS2 (0.61) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL236191 0.76 CA12 (0.59) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL30179347 0.76 PTGS2 (0.59) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
EP-1496063-B1 EXTRACTION PROCESS FOR RARE EARTH METAL IONS USING A PHOSPHONAMIDE COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2009-08-19 EP disclosed
US-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-19 US disclosed
EP-1496063-A1 NOVEL PHOSPHONAMIDES, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Japan Science and Technology Agency (JP) 2005-01-12 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-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof PHYKPL, CDKL1, MASTL PTGS2 2828/4885KDM4E 4524/4885HSD17B10 1479/4885

“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.