SCHEMBL13036028

SCHEMBL13036028

CC(O)CCC(C)(O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL14218011 0.83 MEN1 (0.35) GRIN1GRIN2AGRIN2B
SCHEMBL11913513 0.78 TDP1 (0.30)
SCHEMBL15354743 0.77 GRIN1 (0.30) GRIN1GRIN2AGRIN2B
SCHEMBL15354730 0.77 GRIN1 (0.30) GRIN1GRIN2AGRIN2B
SCHEMBL15449188 0.77
SCHEMBL18388283 0.77
SCHEMBL12319697 0.76
SCHEMBL3670632 0.76
SCHEMBL5857345 0.76 ALDH1A1 (0.41)
SCHEMBL5362201 0.75 CYP1A2 (0.33) MAPK1

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-7825275-B2 Fluorinated compound, fluoropolymer and method for producing the compound ASAHI GLASS COMPANY, LIMITED (JP) 2010-11-02 US disclosed
US-20100016532-A1 NOVEL FLUORINATED COMPOUND, FLUOROPOLYMER AND METHOD FOR PRODUCING THE COMPOUND ASAHI GLASS COMPANY, LIMITED (JP) 2010-01-21 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-20100016532-A1 NOVEL FLUORINATED COMPOUND, FLUOROPOLYMER AND METHOD FOR PRODUCING THE COMPOUND CBR3, CBR1, AFF2 GRIN1 3913/4885GRIN2A 3148/4885GRIN2B 2967/4885

“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.