SCHEMBL6488936

SCHEMBL6488936

CCOC(=O)C(C)(C)Oc1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
FBP1 P09467 13/20 0.41
PPARG P37231 3/20 0.40

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
SCHEMBL6924904 0.84 DHODH (0.39) PPARACYP1A2CYP3A4PPARG
SCHEMBL6502505 0.75 AR (0.43) CYP1A2TSHR
SCHEMBL6502479 0.74 PDE3B (0.50) TSHR
SCHEMBL6487097 0.73 CA12 (0.46) PPARG
SCHEMBL3962137 0.73 DHODH (0.43)
SCHEMBL6927743 0.72 PPARA (0.39) PPARACYP1A2TSHRPPARG
SCHEMBL6926116 0.71 SMN1; SMN2 (0.55) PPARAPPARG
SCHEMBL3963475 0.70 ALDH1A1 (0.40)
SCHEMBL6487758 0.70 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6923484 0.69 MCL1 (0.47) PPARACYP1A2TSHRPPARG

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 665/4885ABCB11 140/4885CYP1A2 247/4885

“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.