SCHEMBL2582669

SCHEMBL2582669

O=C1CC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
LMNA P02545 1/20 0.41
PDPK1 O15530 2/20 0.39
MTOR P42345 1/20 0.39
TSHR P16473 1/20 0.38
PTPN1 P18031 2/20 0.37
CDC25B P30305 1/20 0.37
AKT1 P31749 1/20 0.36
BUB1 O43683 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL2580647 1.00 BCHE (0.56) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL18661870 1.00 BCHE (0.56) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL26836012 0.78 PSEN1 (0.48) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL6342281 0.78 BCHE (0.47) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL26836013 0.78 PSEN1 (0.48) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL6350140 0.78 BCHE (0.47) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL6342279 0.78 BCHE (0.47) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL15627031 0.77 PSEN1 (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL9026314 0.76 LMNA (0.47) BCHEACHELMNATSHRPTPN1
SCHEMBL8955103 0.76 LMNA (0.47) BCHEACHELMNATSHRPTPN1

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 3563/4885PSEN1 3634/4885

“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.