SCHEMBL2823014

SCHEMBL2823014

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)OCc2cnn(Cc3ccc4ccccc4c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.39
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
SCD O00767 1/20 0.35
GAA P10253 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PLA2G1B P04054 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL2823535 0.90 PPARG (0.44) KLKB1PPARGPPARA
SCHEMBL2821944 0.90 LMNA (0.42) KMT2APPARGSCDGAAGPR119
SCHEMBL2819390 0.89 THRB (0.38) KLKB1KMT2AMEN1PPARGPPARA
SCHEMBL2819683 0.88 KLKB1 (0.37) KLKB1KMT2AMEN1PPARAPLA2G1B
SCHEMBL2819377 0.86 KLKB1 (0.39) KLKB1KMT2ASCDGAAGPR119
SCHEMBL2825944 0.85 L3MBTL1 (0.35) KLKB1KMT2AMEN1PPARALMNA
SCHEMBL2822731 0.85 RARA (0.36) KLKB1PPARGPLA2G1BCYP1A2CYP3A4
SCHEMBL2820791 0.80 KLKB1 (0.39) KLKB1KMT2AGAALMNAHRH3
SCHEMBL2819333 0.79 PPARG (0.46) KMT2AMEN1PPARGPPARA
SCHEMBL2818635 0.78 PPARG (0.42) PPARGPPARASMN1; SMN2

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-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 KLKB1 1854/4885KMT2A 3469/4885MEN1 4813/4885

“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.