SCHEMBL24449331

SCHEMBL24449331

COc1c[nH]c(=O)n(C(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HCRTR1 O43613 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
ADORA2B P29275 1/20 0.32
DDAH1 O94760 1/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL23163270 0.75 SLC9A1 (0.38) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL17372113 0.75 KDM4E (0.37) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL11723298 0.73 ALDH1A1 (0.35) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL11716358 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL24450051 0.73 GAA (0.35) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL22471432 0.73 PGR (0.36) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL16503636 0.73 ALDH1A1 (0.35) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL24449973 0.72 THRA (0.32)
SCHEMBL18326354 0.70 ALDH1A1 (0.39) KDM4EALDH1A1HCRTR1GAAMAPT
SCHEMBL24449972 0.68 CYP2C9 (0.36) TDP1ALDH1A1GAAMAPTGRIN2D

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-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists NANJING RUIJIE PHARMA CO., LTD. (CN) 2022-05-26 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-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists THRA, THRB, TSHR TDP1 1477/4885KDM4E 3994/4885ALDH1A1 2389/4885

“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.