SCHEMBL2580792

SCHEMBL2580792

COc1ccc(C(O)c2ccc(F)cc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
ABCB1 P08183 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SYK P43405 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL2572231 0.91 FFAR1 (0.48) FFAR1ABCB1ALDH1A1LMNAGAA
SCHEMBL7744533 0.84 MAOB (0.51) FFAR1ABCB1ALDH1A1LMNAGAA
SCHEMBL2576276 0.83 LMNA (0.52) ABCB1ALDH1A1LMNAGAASGMS2
SCHEMBL8064458 0.82 ABCB1 (0.53) FFAR1ABCB1ALDH1A1LMNAGAA
SCHEMBL25750701 0.82 FFAR1 (0.52) FFAR1ABCB1LMNAMEN1KMT2A
SCHEMBL25750618 0.82 ABCB1 (0.45) FFAR1ABCB1ALDH1A1LMNAGAA
SCHEMBL2516365 0.81 MAPT (0.52) FFAR1ALDH1A1LMNAGAACYP1A2
SCHEMBL31041187 0.81 SLC6A9 (0.47) ALDH1A1LMNASGMS2MEN1KMT2A
SCHEMBL2579090 0.80 ABCB1 (0.48) FFAR1ABCB1ALDH1A1LMNAGAA
SCHEMBL5266803 0.80 LMNA (0.46) ABCB1ALDH1A1LMNAGAASGMS2

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 FFAR1 118/4885ABCB1 258/4885ALDH1A1 296/4885

“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.