SCHEMBL2582793

SCHEMBL2582793

O[C@H]1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.49
ACHE P22303 2/20 0.49
PDPK1 O15530 2/20 0.45
MTOR P42345 1/20 0.45
PDE4D Q08499 1/20 0.45
TSHR P16473 1/20 0.41
GJB2 P29033 1/20 0.40
AGTR2 P50052 1/20 0.38
MTAP Q13126 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 2/20 0.37

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
SCHEMBL2580825 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL14583809 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL13562761 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL13424410 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL12152898 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL21783270 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPDE4D
SCHEMBL2637305 0.87 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D
SCHEMBL14697116 0.87 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D
SCHEMBL2637306 0.87 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D
SCHEMBL2638079 0.87 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP 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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 BCHE 2092/4885ACHE 3563/4885PDPK1 1225/4885

“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.