SCHEMBL4245131

SCHEMBL4245131

FC(F)(F)COC(c1cc(OB(Oc2cc(C(F)(F)F)cc(C(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)Oc2cc(C(F)(F)F)cc(C(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
SOD1 P00441 1/20 0.32

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
SCHEMBL31611836 0.88 IDO1 (0.31) IDO1SOD1
SCHEMBL4245134 0.88 IDO1 (0.31) IDO1SOD1
SCHEMBL473195 0.80 IDO1 (0.40) IDO1SOD1
SCHEMBL6675245 0.80 IDO1 (0.31) IDO1SOD1
SCHEMBL27554604 0.79 SOD1 (0.34) IDO1SOD1
SCHEMBL29738705 0.78 IDO1 (0.31) IDO1SOD1
SCHEMBL27531973 0.78 IDO1 (0.35) IDO1
Boric Acid SCHEMBL27540523 0.77 IDO1 (0.33) IDO1
SCHEMBL27554599 0.77 MGLL (0.42) IDO1
SCHEMBL985549 0.77 IDO1 (0.34) IDO1

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-7902109-B2 Organometallic compound, catalyst for polymerization of polar group-containing norbornene and process for producing norbornene polymer FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20090247729-A1 ORGANOMETALLIC COMPOUND, CATALYST FOR POLYMERIZATION OF POLAR GROUP-CONTAINING NORBORNENE AND PROCESS FOR PRODUCING NORBORNENE POLYMER FUJIFILM CORPORATION (JP) 2009-10-01 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 (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-20090247729-A1 ORGANOMETALLIC COMPOUND, CATALYST FOR POLYMERIZATION OF POLAR GROUP-CONTAINING NORBORNENE AND PROCESS FOR PRODUCING NORBORNENE POLYMER DDT, PHOSPHO1, POF1B IDO1 3737/4885SOD1 2140/4885

“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.