SCHEMBL2821752

SCHEMBL2821752

COc1ccc(Cn2cc(COC(=O)c3ccc(OC(C)(C)C(=O)O)cc3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
HSP90AB1 P08238 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.47
ALOX5 P09917 1/20 0.46
KDM1A O60341 2/20 0.45
TBXAS1 P24557 2/20 0.44
SNCA P37840 1/20 0.44
PPARA Q07869 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 2/20 0.43

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
SCHEMBL2821397 0.93 PPARA (0.48) CYP19A1HSP90AB1ALOX5TBXAS1PPARA
SCHEMBL2821113 0.93 CYP19A1 (0.52) CYP19A1HSP90AB1HDAC1ALOX5KDM1A
SCHEMBL2821446 0.93 HSP90AB1 (0.53) CYP19A1HSP90AB1ALOX5POLBL3MBTL1
SCHEMBL2819363 0.92 HSP90AB1 (0.47) CYP19A1HSP90AB1HDAC1ALOX5TBXAS1
SCHEMBL2818885 0.91 PPARA (0.50) HSP90AB1HDAC1ALOX5TBXAS1PPARA
SCHEMBL2821368 0.89 KDM1A (0.49) CYP19A1HSP90AB1NPC1RAB9AMEN1
SCHEMBL2819219 0.88 HSP90AB1 (0.43) CYP19A1HSP90AB1NPC1RAB9AMEN1
SCHEMBL2820224 0.88 ALOX5 (0.46) CYP19A1HSP90AB1ALOX5KDM1ATBXAS1
SCHEMBL2821229 0.85 ALOX5 (0.48) CYP19A1HSP90AB1NPC1RAB9AMEN1
SCHEMBL2819470 0.84 L3MBTL1 (0.47) NPC1RAB9AMEN1KMT2ATBXAS1

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 4 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
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 CYP19A1 296/4885HSP90AB1 937/4885NPC1 366/4885

“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.