SCHEMBL2579095

SCHEMBL2579095

COc1ccc(Cc2c(C)cccc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 4/20 0.45
ATM Q13315 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 1/20 0.45
VKORC1 Q9BQB6 1/20 0.45
ERAP1 Q9NZ08 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CALM1 P0DP23 1/20 0.42
IDH1 O75874 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 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
SCHEMBL2577502 0.83 LTA4H (0.50) ALOX5LTA4HALDH1A1ATMSMN1; SMN2
SCHEMBL28842004 0.83 LTA4H (0.53) ALOX5LTA4HALDH1A1ATMSMN1; SMN2
SCHEMBL2580758 0.82 ALOX5 (0.49) ALOX5LTA4HALDH1A1ATMSMN1; SMN2
SCHEMBL4289115 0.82 ALDH1A1 (0.51) ALOX5LTA4HALDH1A1ATMSMN1; SMN2
SCHEMBL28849552 0.81 ALOX5 (0.48) ALOX5LTA4HVKORC1MEN1KMT2A
SCHEMBL7647682 0.80 BCL2 (0.50) ALOX5ATMMEN1KMT2ACALM1
SCHEMBL31083555 0.80 BCL2 (0.50) ALOX5ATMMEN1KMT2ACALM1
SCHEMBL2810109 0.79 MEN1 (0.46) ALDH1A1ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL27702898 0.79 ALDH1A1 (0.45) ALDH1A1ATMSMN1; SMN2LMNAMEN1
SCHEMBL3998037 0.79 IDH1 (0.48) ALOX5LTA4HALDH1A1ATMSMN1; SMN2

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 ALOX5 2989/4885LTA4H 2919/4885ALDH1A1 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.