SCHEMBL2579031

SCHEMBL2579031

Oc1ccccc1Cc1ccc(C2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
HSPA5 P11021 1/20 0.48
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SLC5A2 P31639 3/20 0.42
SLC5A1 P13866 1/20 0.42
ESR2 Q92731 7/20 0.41
ESR1 P03372 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
LTA4H P09960 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL2581201 0.93 KEAP1 (0.61) KEAP1HSPA5SLC5A2SLC5A1ESR2
SCHEMBL27596781 0.81 HSPA5 (0.50) KEAP1HSPA5HDAC4HDAC2HDAC8
SCHEMBL9776607 0.80 KEAP1 (0.86) KEAP1HSPA5CYP3A4CYP2D6BCL2
SCHEMBL30616875 0.80 KEAP1 (0.86) KEAP1HSPA5CYP3A4CYP2D6BCL2
SCHEMBL22103998 0.80 MEN1 (0.51) HDAC4HDAC2HDAC8CYP3A4BCL2
SCHEMBL22103975 0.80 MEN1 (0.51) HDAC4HDAC2HDAC8CYP3A4BCL2
SCHEMBL9418570 0.79 PTGES2 (0.43) SLC5A2SLC5A1LTA4HPTGES2
SCHEMBL3270518 0.78 NUDT1 (0.58) KEAP1HSPA5HDAC4HDAC2HDAC8
SCHEMBL11504130 0.77 LTA4H (0.56) LTA4H
SCHEMBL27596797 0.76 ACMSD (0.48) KEAP1HDAC4HDAC2HDAC8ESR2

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 KEAP1 901/4885HSPA5 2445/4885HDAC4 582/4885

“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.