SCHEMBL3481867

SCHEMBL3481867

CC(C)(O)C(C)(C)OB(O)c1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.37
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL2495447 0.85 CYP2C9 (0.40) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1128655 0.81 NAMPT (0.52) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL19433226 0.80 CA2 (0.42)
SCHEMBL1128637 0.80 MEN1 (0.48) MEN1KMT2A
SCHEMBL1129060 0.79 USP5 (0.46) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL3681691 0.79 CA2 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL1181137 0.79 ENPP2 (0.41) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL54815 0.77 MAPK1 (0.32) ALDH1A1MAPTMAPK1
SCHEMBL3711217 0.77
SCHEMBL9903022 0.77

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-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 ESR2 2155/4885CYP2C9 3321/4885ESR1 4158/4885

“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.