SCHEMBL2826176

SCHEMBL2826176

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C(=O)OCc2cn(Cc3ccccc3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
HSP90AB1 P08238 2/20 0.48
CYP19A1 P11511 7/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGAM O43451 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KDM1A O60341 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL2822465 0.92 KDM1A (0.48) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2823774 0.91 KDM1A (0.49) ALOX5HSP90AB1CYP19A1KDM1ANPC1
SCHEMBL2825948 0.91 HDAC1 (0.44) ALOX5HSP90AB1POLBL3MBTL1MGAM
SCHEMBL2821326 0.91 ALOX5 (0.44) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2821360 0.91 ALOX5 (0.56) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2821679 0.89 HDAC1 (0.43) ALOX5HSP90AB1KDM1A
SCHEMBL2820612 0.89 ALOX5 (0.42) ALOX5HSP90AB1CYP19A1MGAMKDM1A
SCHEMBL2822468 0.86 ALOX5 (0.40) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2822380 0.84 LMNA (0.41) ALOX5L3MBTL1ALDH1A1LMNARAB9A
SCHEMBL2822489 0.84 HSP90AB1 (0.49) ALOX5HSP90AB1CYP19A1POLBL3MBTL1

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 ALOX5 570/4885HSP90AB1 937/4885CYP19A1 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.