SCHEMBL2822818

SCHEMBL2822818

CC(C)(Sc1ccc(C(=O)OCc2cnn(Cc3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.39
RXRB P28702 6/20 0.39
RXRG P48443 5/20 0.39
CYP26A1 O43174 4/20 0.37
RARB P10826 4/20 0.37
RARG P13631 4/20 0.37
RARA P10276 3/20 0.37
HNF4A P41235 1/20 0.36
TBXAS1 P24557 2/20 0.36
CYP26B1 Q9NR63 4/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL2821362 0.91 RARB (0.35) RXRARXRBRXRGCYP26A1RARB
SCHEMBL2824872 0.86 RXRA (0.40) RXRARXRBRXRGCYP26A1RARB
SCHEMBL2821029 0.84 TBXAS1 (0.39) TBXAS1
SCHEMBL2823157 0.83 L3MBTL1 (0.45) TBXAS1
SCHEMBL2819674 0.83 TBXAS1 (0.43) TBXAS1
SCHEMBL2820791 0.83 KLKB1 (0.39) TBXAS1
SCHEMBL2819515 0.82 THRB (0.43) CYP3A4
SCHEMBL2819276 0.82 KLKB1 (0.41) TBXAS1
SCHEMBL2821986 0.82 TBXAS1 (0.42) TBXAS1
SCHEMBL2822731 0.81 RARA (0.36) RXRARXRBRXRGCYP26A1RARB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG RXRA 17/4885RXRB 19/4885RXRG 15/4885

“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.