SCHEMBL2819683

SCHEMBL2819683

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)OCc2cnn(Cc3ccc(F)c(F)c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
SMN1; SMN2 Q16637 2/20 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

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
SCHEMBL2826253 0.90 BCL9 (0.44) KLKB1MAOAMAOBALDH1A1BCL9
SCHEMBL2823014 0.88 KLKB1 (0.39) KLKB1PPARASMN1; SMN2PLA2G1BCYP1A2
SCHEMBL2821944 0.86 LMNA (0.42) ALDH1A1THRBL3MBTL1MAPTRAB9A
SCHEMBL2822756 0.85 KLKB1 (0.37) KLKB1MAOAMAOBALDH1A1POLB
SCHEMBL2819390 0.85 THRB (0.38) KLKB1THRBPPARAL3MBTL1MAPT
SCHEMBL2825944 0.85 L3MBTL1 (0.35) KLKB1ALDH1A1PPARDPPARAL3MBTL1
SCHEMBL2822731 0.85 RARA (0.36) KLKB1SMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL2821029 0.79 TBXAS1 (0.39) KLKB1ALDH1A1POLBL3MBTL1CACNA1G
SCHEMBL2818635 0.78 PPARG (0.42) ALDH1A1PPARDPPARASMN1; SMN2
SCHEMBL2823535 0.78 PPARG (0.44) KLKB1PPARDPPARA

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 1854/4885MAOA 3202/4885MAOB 2981/4885

“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.