SCHEMBL2822489

SCHEMBL2822489

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)OCc2cn(Cc3ccccc3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.49
ALOX5 P09917 1/20 0.48
CYP19A1 P11511 7/20 0.48
MGAM O43451 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APP P05067 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2821368 0.93 KDM1A (0.49) HSP90AB1ALOX5CYP19A1MEN1NPC1
SCHEMBL2821480 0.92 HSP90AB1 (0.44) HSP90AB1ALOX5CYP19A1MGAMPOLB
SCHEMBL2823580 0.92 POLB (0.47) HSP90AB1ALOX5CYP19A1POLBL3MBTL1
SCHEMBL2821425 0.91 HDAC1 (0.45) HSP90AB1ALOX5CYP19A1MGAMLMNA
SCHEMBL2821446 0.90 HSP90AB1 (0.53) HSP90AB1ALOX5CYP19A1MGAMPOLB
SCHEMBL2819648 0.89 HDAC1 (0.44) HSP90AB1ALOX5MGAMTHRB
SCHEMBL2820002 0.87 ALOX5 (0.41) HSP90AB1ALOX5CYP19A1MGAMPOLB
SCHEMBL2819542 0.85 KDM1A (0.40) HSP90AB1ALOX5CYP19A1MGAMMEN1
SCHEMBL2826176 0.84 ALOX5 (0.53) HSP90AB1ALOX5CYP19A1MGAMPOLB
SCHEMBL2821944 0.84 LMNA (0.42) L3MBTL1ALDH1A1LMNATHRBRAB9A

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 HSP90AB1 937/4885ALOX5 570/4885CYP19A1 296/4885

“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.