SCHEMBL6490931

SCHEMBL6490931

CCOC(=O)C(C)(C)CCOc1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
DHODH Q02127 7/20 0.34
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 2/20 0.32
ACACB O00763 2/20 0.32
FBP1 P09467 1/20 0.32
MME P08473 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL6927743 0.87 PPARA (0.39) PPARACYP4F2CYP4A11DHODHMCL1
SCHEMBL6488936 0.81 PPARA (0.46) PPARAFBP1
SCHEMBL6502479 0.80 PDE3B (0.50) PDE3BPDE3AP2RY12MCL1
SCHEMBL6923484 0.76 MCL1 (0.47) PPARADHODHPDE3BPDE3AP2RY12
SCHEMBL6499830 0.72 PDE3B (0.49) PDE3BPDE3AP2RY12MCL1
SCHEMBL6502505 0.71 AR (0.43) DHODHACACBMME
SCHEMBL6924904 0.70 DHODH (0.39) PPARADHODHACACBMME
SCHEMBL6487097 0.70 CA12 (0.46) ACACBMME
SCHEMBL6466693 0.69 CYP4F2 (0.50) PPARACYP4F2CYP4A11MCL1
SCHEMBL3962137 0.69 DHODH (0.43) DHODHMME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD PPARA 665/4885CYP4F2 279/4885CYP4A11 268/4885

“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.