SCHEMBL2576280

SCHEMBL2576280

COc1ccc(Cc2cccc(C)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.54
LTA4H P09960 1/20 0.52
ALOX5 P09917 2/20 0.48
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29131801 0.82 KEAP1 (0.57) ALDH1A1
SCHEMBL28131751 0.82 LTA4H (0.64) LTA4HTP53MAPTATMTDP1
SCHEMBL28842004 0.81 LTA4H (0.53) LTA4HALOX5TP53MAPTATM
SCHEMBL27829956 0.80 ALOX5 (0.54) CALM1LTA4HALOX5MAPTL3MBTL1
SCHEMBL14408679 0.80 CALM1 (0.48) CALM1LTA4HTP53TDP1ALDH1A1
SCHEMBL30171004 0.80 ALDH1A1 (0.52) ALOX5ALDH1A1TSHR
SCHEMBL3725692 0.80 ALDH1A1 (0.52) ALOX5ALDH1A1TSHR
SCHEMBL28251912 0.79 LTA4H (0.72) LTA4HTP53MAPTTDP1L3MBTL1
SCHEMBL68936 0.79 ALDH1A1 (0.62) CALM1ATMALDH1A1
SCHEMBL254705 0.79 KEAP1 (0.63) CALM1LTA4HALOX5TDP1

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 5 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
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN 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
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN 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 CALM1 743/4885LTA4H 2919/4885ALOX5 2989/4885

“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.