SCHEMBL20710952

SCHEMBL20710952

C=CCC(C#N)(CC=C)CCC(C#N)(CC=C)CC=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL20710953 0.88
SCHEMBL10784639 0.85 TSHR (0.32) TSHR
SCHEMBL16199512 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL27063715 0.79
SCHEMBL5879391 0.79 TSHR (0.38) ALDH1A1TSHR
SCHEMBL10616502 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31343108 0.78 TSHR (0.33) ALDH1A1TSHR
SCHEMBL10786040 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11331326 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11420035 0.78 ALDH1A1 (0.33) ALDH1A1

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-10696848-B2 Fluorinated ether compound, coating liquid, article and novel compounds AGC Inc. (JP) 2020-06-30 US disclosed
US-20190040266-A1 FLUORINATED ETHER COMPOUND, COATING LIQUID, ARTICLE AND NOVEL COMPOUNDS AGC Inc. (JP) 2019-02-07 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-10696848-B2 Fluorinated ether compound, coating liquid, article and novel compounds SMYD3, EZH1, NR1H3 ALDH1A1 2598/4885TSHR 3171/4885
US-20190040266-A1 FLUORINATED ETHER COMPOUND, COATING LIQUID, ARTICLE AND NOVEL COMPOUNDS SMYD3, EZH1, NR1H3 ALDH1A1 2742/4885TSHR 3243/4885

“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.