SCHEMBL2580306

SCHEMBL2580306

CCOC(OCC)c1ccc(C=C(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.57
ACHE P22303 8/20 0.57
BCHE P06276 6/20 0.57
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL28053389 0.84 PTGS2 (0.58) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL13582049 0.79 PTGS2 (0.54) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL13582046 0.79 PTGS2 (0.54) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL1062701 0.78 KMT2A (0.55) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL6394314 0.78 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL15145397 0.76 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL895976 0.76 PTGS2 (0.62) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL19984540 0.74 PTGS2 (0.65) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL13583204 0.74 PTGS2 (0.64) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL13583200 0.74 PTGS2 (0.64) PTGS2ACHEBCHENPC1RAB9A

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 PTGS2 1865/4885ACHE 3563/4885BCHE 2092/4885

“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.