SCHEMBL2819219

SCHEMBL2819219

COC(c1ccc(Cn2cc(COC(=O)c3ccc(OC(C)(C)C(=O)O)cc3)nn2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
ALOX5 P09917 1/20 0.40
CYP19A1 P11511 3/20 0.40
MGAM O43451 1/20 0.39
TBXAS1 P24557 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.37
PPARG P37231 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FABP2 P12104 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL2819542 0.91 KDM1A (0.40) HSP90AB1ALOX5CYP19A1MGAMMEN1
SCHEMBL2818885 0.90 PPARA (0.50) HSP90AB1PPARDPPARAALOX5TBXAS1
SCHEMBL2821397 0.89 PPARA (0.48) HSP90AB1PPARDPPARAALOX5CYP19A1
SCHEMBL2819363 0.89 HSP90AB1 (0.47) HSP90AB1PPARDPPARAALOX5CYP19A1
SCHEMBL2821752 0.88 CYP19A1 (0.51) HSP90AB1PPARAALOX5CYP19A1TBXAS1
SCHEMBL2819724 0.86 ALOX5 (0.43) HSP90AB1ALOX5CYP19A1MGAMTBXAS1
SCHEMBL2821113 0.86 CYP19A1 (0.52) HSP90AB1PPARDPPARAALOX5CYP19A1
SCHEMBL2821446 0.86 HSP90AB1 (0.53) HSP90AB1ALOX5CYP19A1MGAMPOLB
SCHEMBL2820224 0.84 ALOX5 (0.46) HSP90AB1PPARDPPARAALOX5CYP19A1
SCHEMBL2820775 0.82 PPARA (0.49) PPARDPPARAHDAC1PPARG

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
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG HSP90AB1 937/4885PPARD 2/4885PPARA 1/4885

“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.