SCHEMBL6799093

SCHEMBL6799093

COC(=O)[C@@]1(C)CCc2ccc(O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.44
PPARA Q07869 11/20 0.42
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
PPARD Q03181 2/20 0.39
PPARG P37231 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6798457 1.00 SOD1 (0.44) SOD1PPARAMGAMGAASI
SCHEMBL6798455 1.00 SOD1 (0.44) SOD1PPARAMGAMGAASI
SCHEMBL6797538 0.84 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL6796006 0.80 PPARG (0.47) SOD1PPARAPPARDPPARG
SCHEMBL6804338 0.80 PPARG (0.47) SOD1PPARAPPARDPPARG
SCHEMBL6796001 0.80 PPARG (0.47) SOD1PPARAPPARDPPARG
SCHEMBL23618135 0.78 BCHE (0.43) PPARAMGAMGAASIMGAM2
SCHEMBL4458326 0.78 MAPT (0.43) SOD1PPARAMGAMGAASI
SCHEMBL7248833 0.78 ESR2 (0.43) SOD1PPARAMGAMGAASI
SCHEMBL7081951 0.78 ESR2 (0.43) SOD1PPARAMGAMGAASI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713508-B2 SUCH AS 7-(3-(3-TRIFLUOROMETHYL-7-PROPYL-6-BENZ-(4,5)-ISOXAZOLOXY)PROPOXY)-2 -ETHYLCHROMANE-2-CARBOXYLIC ACID WHICH ARE POTENT AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MERCK & CO., INC. 2004-03-30 US disclosed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-08-01 US 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-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG SOD1 2758/4885PPARA 2/4885MGAM 371/4885

“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.