SCHEMBL6466646

SCHEMBL6466646

C=C(C#N)C(=O)OC(C)OCC.C=C(C#N)C(=O)OCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NAAA Q02083 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 3/20 0.32
FAAH O00519 1/20 0.32
HPGD P15428 1/20 0.32
HTR2C P28335 1/20 0.31
ACHE P22303 2/20 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
SCHEMBL26675841 0.88 TSHR (0.44) TSHRALDH1A1NAAAEPHX1LMNA
SCHEMBL462000 0.85 ALDH1A1 (0.56) TSHRALDH1A1LMNA
SCHEMBL719001 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL30685005 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL3457991 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL379519 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL35540 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL973728 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
Ocrylate SCHEMBL29891 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL2903638 0.85 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042196-A1 Antimicrobial phenol containing cyanoacrylate compositions ASKILL IAN (US) 2005-02-24 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-20050042196-A1 Antimicrobial phenol containing cyanoacrylate compositions CUTA, ACMSD, PYCARD TSHR 4863/4885ALDH1A1 2449/4885NAAA 459/4885

“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.