SCHEMBL21769502

SCHEMBL21769502

CC(C)(C)C(=O)c1noc(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTH P32929 1/20 0.37
THRB P10828 9/20 0.34
THRA P10827 6/20 0.34
RARB P10826 1/20 0.33
ENPP2 Q13822 1/20 0.30
MDM2 Q00987 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
SCHEMBL13684167 0.77
SCHEMBL24408065 0.76 THRB (0.40) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL21749460 0.72
SCHEMBL24188741 0.72 ALDH1A1 (0.40) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL31356397 0.71 ALDH1A1 (0.42) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL24192726 0.69 THRB (0.43) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL24193214 0.68 HPGD (0.37) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL21769501 0.64 CTH (0.37) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL20669613 0.64 CTH (0.37) ALDH1A1MAPTHPGDNPSR1L3MBTL1
SCHEMBL21533466 0.63 CTH (0.39) ALDH1A1CTHRARB

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-10800767-B2 Thyroid hormone receptor beta agonist compounds Terns, Inc. (US) 2020-10-13 US disclosed
US-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. 2020-02-27 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-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR ALDH1A1 3553/4885MAPT 2085/4885HPGD 3088/4885
US-10800767-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR ALDH1A1 3553/4885MAPT 2085/4885HPGD 3088/4885

“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.