SCHEMBL2821113

SCHEMBL2821113

Cc1ccc(Cn2cc(COC(=O)c3ccc(OC(C)(C)C(=O)O)cc3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AB1 P08238 1/20 0.48
ALOX5 P09917 1/20 0.45
PPARA Q07869 7/20 0.45
PPARG P37231 3/20 0.44
PPARD Q03181 1/20 0.44
TBXAS1 P24557 2/20 0.43
HDAC1 Q13547 1/20 0.43
KDM1A O60341 2/20 0.43
TYR P14679 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL2821752 0.93 CYP19A1 (0.51) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2821397 0.92 PPARA (0.48) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2821446 0.92 HSP90AB1 (0.53) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2819363 0.91 HSP90AB1 (0.47) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2823529 0.90 POLB (0.50) CYP19A1POLBL3MBTL1ALOX5PPARA
SCHEMBL2818885 0.90 PPARA (0.50) HSP90AB1ALOX5PPARAPPARGPPARD
SCHEMBL2823580 0.90 POLB (0.47) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2820224 0.87 ALOX5 (0.46) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2819219 0.86 HSP90AB1 (0.43) CYP19A1POLBL3MBTL1HSP90AB1ALOX5
SCHEMBL2819438 0.85 POLB (0.45) CYP19A1POLBL3MBTL1HSP90AB1ALOX5

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 296/4885POLB 598/4885L3MBTL1 4855/4885

“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.