SCHEMBL2579090

SCHEMBL2579090

COc1ccc(C(O)c2c(F)cccc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.48
FFAR1 O14842 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR1A P08908 3/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM1A O60341 2/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MAPT P10636 2/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2576272 0.89 ABCB1 (0.51) ABCB1CYP1A2CYP2D6CYP2C19HTR1A
SCHEMBL2579239 0.86 ABCB1 (0.49) ABCB1FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL7371859 0.81 KMT2A (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2572231 0.80 FFAR1 (0.48) ABCB1FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL2580792 0.80 FFAR1 (0.48) ABCB1FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL2576276 0.76 LMNA (0.52) ABCB1CYP1A2CYP2D6CYP2C19HTR1A
SCHEMBL8733146 0.76 L3MBTL1 (0.49) FFAR1CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL25750618 0.76 ABCB1 (0.45) ABCB1FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL8064458 0.76 ABCB1 (0.53) ABCB1FFAR1CYP1A2CYP2D6CYP2C19
SCHEMBL11723955 0.74 FFAR1 (0.57) FFAR1MAPTMAOBMEN1KMT2A

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 ABCB1 258/4885FFAR1 118/4885CYP1A2 123/4885

“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.