SCHEMBL2576302

SCHEMBL2576302

COc1ccc(Cc2ccc(F)cc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
ESR2 Q92731 1/20 0.49
LTA4H P09960 1/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
HSP90AA1 P07900 1/20 0.44
SLC5A1 P13866 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 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
SCHEMBL2576239 0.89 IGF1R (0.47) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL227700 0.88 ESR1 (0.61) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL14283892 0.84 LTA4H (0.53) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL4293661 0.83 ESR1 (0.49) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL8218381 0.82 LTA4H (0.44) LTA4HPOLB
SCHEMBL4279793 0.82 CYP19A1 (0.48) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL4003810 0.82 ESR1 (0.51) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL6201748 0.82 NPC1 (0.49) ESR1CYP19A1ESR2ALOX15MEN1
SCHEMBL9006519 0.82 ESR1 (0.48) ESR1CYP19A1ESR2LTA4HIGF1R
SCHEMBL4281340 0.81 IGF1R (0.54) ESR1CYP19A1ESR2LTA4HIGF1R

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 ESR1 1501/4885CYP19A1 110/4885ESR2 1152/4885

“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.