SCHEMBL2579063

SCHEMBL2579063

O=Cc1ccccc1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
NT5E P21589 1/20 0.44
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
PTPN1 P18031 9/20 0.42
CDC25B P30305 8/20 0.42
PTPN2 P17706 5/20 0.42
PTPN11 Q06124 5/20 0.42
PTPN6 P29350 4/20 0.42
TACR2 P21452 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL30021963 0.81 HTR1A (0.47) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL12425689 0.81 SSTR1 (0.39) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL13201199 0.81 SSTR1 (0.39) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL5210512 0.81 HTR1A (0.47) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL12425684 0.80 PTPN1 (0.41) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL13201206 0.80 PTPN1 (0.41) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL22510503 0.80 NT5E (0.42) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL12601628 0.80 NT5E (0.42) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL16267768 0.80 HTR1A (0.49) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL14415182 0.80 HTR1A (0.49) HTR1ANT5ESSTR1SSTR2SSTR4

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 HTR1A 860/4885NT5E 4314/4885SSTR1 630/4885

“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.