SCHEMBL4453205

SCHEMBL4453205

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nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34

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
SCHEMBL4453202 1.00 TSHR (0.35) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL12282953 0.80
SCHEMBL4453195 0.79 TSHR (0.36) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL16680847 0.79 TSHR (0.36) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL4453193 0.79 TSHR (0.36) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL27977114 0.78 NFE2L2 (0.48) HCAR2
SCHEMBL4456566 0.78 NFE2L2 (0.48) HCAR2
SCHEMBL27977116 0.67
SCHEMBL15344654 0.65 TSHR (0.42) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL15344653 0.65 TSHR (0.42) TSHRTP53EGLN1EGLN3HCAR2

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-7482479-B2 Production of cis-pellitorin and use as a flavouring SYMRISE GMBH & CO., KG (DE) 2009-01-27 US disclosed
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring SYMRISE AG (DE) 2005-10-20 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-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT TSHR 4375/4885TP53 2837/4885EGLN1 882/4885

“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.