SCHEMBL20932920

SCHEMBL20932920

CCCC(C)CC1CCC(OC)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ DAO P14920 1/20 0.30
▸ MAPT P10636 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
SCHEMBL19407071 0.86 TSHR (0.32) TSHR
SCHEMBL21297615 0.86 IDO1 (0.32) IDO1TDO2DAO
SCHEMBL13464005 0.82 MAPT (0.50) DAOMAPT
SCHEMBL19865661 0.80 MAPT (0.33) MAPT
SCHEMBL178340 0.79 IDO1 (0.34) IDO1TDO2DAO
SCHEMBL19407086 0.79 IDO1 (0.34) IDO1TDO2DAO
SCHEMBL26999135 0.79 TSHR (0.39) TSHRMAPT
SCHEMBL13910184 0.79 IDO1 (0.34) IDO1TDO2DAO
SCHEMBL17592565 0.78 NCF1 (0.35) TSHRMAPT
SCHEMBL18896335 0.78 TSHR (0.44) TSHRMAPT

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-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 — — 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-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 TSHR 411/4885IDO1 513/4885TDO2 500/4885

“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.

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