SCHEMBL2580758

SCHEMBL2580758

COc1ccc(Cc2c(O)cccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44
VKORC1 Q9BQB6 1/20 0.44
ERAP1 Q9NZ08 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 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
SCHEMBL2577502 0.82 LTA4H (0.50) ALOX5LTA4HALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2579095 0.82 ALOX5 (0.54) ALOX5LTA4HALDH1A1SMN1; SMN2CYP2D6
SCHEMBL23409577 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29971140 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4289115 0.81 ALDH1A1 (0.51) ALOX5LTA4HALDH1A1SMN1; SMN2CYP2D6
SCHEMBL8045392 0.79 KDM4E (0.46) ALOX5ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL28849552 0.76 ALOX5 (0.48) ALOX5LTA4HVKORC1MEN1KMT2A
SCHEMBL29256757 0.76 CALM1 (0.55) ALOX5LTA4HALDH1A1SMN1; SMN2CALM1
SCHEMBL7081851 0.73 TAAR1 (0.57) ALOX5ALDH1A1LMNAMEN1KMT2A
SCHEMBL12467030 0.73 MAOB (0.32) LMNAL3MBTL1

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.