SCHEMBL969039

SCHEMBL969039

CC1(CCC(=O)N2CCCCC2)CCc2cc(O)c3c(c2O1)C1CCC3CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.44
AKT1 P31749 6/20 0.39
PDPK1 O15530 1/20 0.39
PHLPP1 O60346 1/20 0.39
ILK Q13418 1/20 0.39
NR1I2 O75469 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL971832 0.91 AKT1 (0.38) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL970858 0.87 ALOX5 (0.37) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL969505 0.84 ALOX5 (0.45) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL12919865 0.84 ALOX5 (0.45) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL968256 0.83 ALOX5 (0.43) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL968616 0.82 AKT1 (0.44) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL967402 0.81 AKT1 (0.41) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL967545 0.81 AKT1 (0.39) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL969041 0.80 ALOX5 (0.44) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL12919845 0.80 ALOX5 (0.44) ALOX5AKT1PDPK1PHLPP1ILK

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-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-7470798-B2 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents EDISON PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents PTC THERAPEUTICS, INC. 2005-03-24 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 (2 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-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents NLN, ACAA2, CS ALOX5 525/4885AKT1 3689/4885PDPK1 903/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS ALOX5 1689/4885AKT1 2913/4885PDPK1 362/4885

“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.