SCHEMBL17836974

SCHEMBL17836974

O=C(O)c1cc(I)c(O)c(I)c1CCc1c(C(=O)O)cc(I)c(O)c1I.O=C(OCCOC(=O)c1cc(I)c(O)c(I)c1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.55
SERPINE1 P05121 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TYR P14679 1/20 0.37

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
SCHEMBL17836973 0.85 TDP1 (0.45) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL17836970 0.82 ESR1 (0.77) ESR1SERPINE1L3MBTL1AKR1C4AKR1C3
SCHEMBL17873233 0.82 ESR1 (0.77) ESR1SERPINE1L3MBTL1AKR1C4AKR1C3
SCHEMBL17836998 0.77 TDP1 (0.42) ESR1TDP1
SCHEMBL20920869 0.76 ESR1 (0.64) ESR1SERPINE1L3MBTL1AKR1C4AKR1C3
SCHEMBL19046866 0.74 ESR1 (0.66) ESR1SERPINE1L3MBTL1AKR1C4AKR1C3
SCHEMBL17836966 0.74 ESR1 (0.87) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL17854061 0.71 ESR1 (0.66) ESR1SERPINE1L3MBTL1TDP1AKR1C4
SCHEMBL17836991 0.71 SMN1; SMN2 (0.36) TDP1
SCHEMBL6731831 0.71 ESR1 (1.00) ESR1SERPINE1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087285-B2 Biocompatible iodinated diphenol monomers and polymers RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-02 US disclosed
US-20160177028-A1 BIOCOMPATIBLE IODINATED DIPHENOL MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-06-23 US 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-10087285-B2 Biocompatible iodinated diphenol monomers and polymers DDT, HPGDS, PTGDR ESR1 647/4885SERPINE1 2484/4885L3MBTL1 2355/4885
US-20160177028-A1 BIOCOMPATIBLE IODINATED DIPHENOL MONOMERS AND POLYMERS DDT, HPGDS, PTGDR ESR1 647/4885SERPINE1 2484/4885L3MBTL1 2355/4885

“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.