SCHEMBL2575336

SCHEMBL2575336

CSc1ccc(Cc2ccccc2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
SLC6A4 P31645 5/20 0.62
SLC6A2 P23975 3/20 0.62
SLC6A3 Q01959 3/20 0.62
TBXA2R P21731 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
PTGDR Q13258 1/20 0.54
HSPA5 P11021 1/20 0.54
VKORC1 Q9BQB6 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 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
SCHEMBL9776607 0.84 KEAP1 (0.86) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL30616875 0.84 KEAP1 (0.86) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL4798911 0.82 KEAP1 (0.59) KEAP1SLC6A4SLC6A2SLC6A3HSPA5
SCHEMBL1539188 0.79 KEAP1 (0.70) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL1186083 0.79 KEAP1 (0.70) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL8925742 0.78 KEAP1 (0.76) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL68653 0.78 KEAP1 (1.00) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL29506902 0.78 KEAP1 (1.00) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL30335116 0.78 KEAP1 (0.75) KEAP1HSPA5MEN1CYP3A4KMT2A
SCHEMBL87816 0.78 KEAP1 (0.75) KEAP1HSPA5MEN1CYP3A4KMT2A

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 KEAP1 901/4885SLC6A4 2751/4885SLC6A2 1234/4885

“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.