SCHEMBL22014397

SCHEMBL22014397

CC(C)c1cc2c(c(C(C)C)c1CC(=O)O)COC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 1/20 0.37
RXRA P19793 3/20 0.32
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL21962058 0.89
SCHEMBL22014351 0.86 CYP26A1 (0.31) CYP26A1CYP26B1RXRA
SCHEMBL22014398 0.84
SCHEMBL29687381 0.75 KDM4E (0.32)
SCHEMBL21962221 0.75 KDM4E (0.32)
SCHEMBL21962328 0.74
SCHEMBL21962217 0.74
SCHEMBL25067272 0.73 KCNJ1 (0.33)
SCHEMBL22014852 0.70 NLRP3 (0.38) RXRARXRBRXRG
SCHEMBL29687340 0.70 NLRP3 (0.38) RXRARXRBRXRG

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP26A1 1764/4885CYP26B1 1730/4885RXRA 772/4885

“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.