SCHEMBL968229

SCHEMBL968229

COC12CCC(CC1)c1c(O)cc3c(c12)OC(C)(C)CC3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.35
OSBP P22059 1/20 0.32
BCHE P06276 1/20 0.31
AKT1 P31749 2/20 0.31
PDE4D Q08499 1/20 0.31
PDPK1 O15530 1/20 0.31
PHLPP1 O60346 1/20 0.31
ILK Q13418 1/20 0.31
CCR5 P51681 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL970428 0.79 CCR5 (0.35) PTPN1BCHEAKT1PDE4DPDPK1
SCHEMBL969003 0.74 CCR5 (0.34) PTPN1AKT1PDPK1PHLPP1ILK
SCHEMBL969915 0.69 CCR5 (0.34) PTPN1AKT1PDPK1PHLPP1ILK
SCHEMBL30439889 0.67 AKT1 (0.57) BCHEAKT1PDPK1PHLPP1ILK
SCHEMBL1285588 0.67 AKT1 (0.57) BCHEAKT1PDPK1PHLPP1ILK
SCHEMBL12947892 0.66 AKT1 (0.37) PTPN1BCHEAKT1PDPK1PHLPP1
SCHEMBL18027842 0.66 AKT1 (0.46) BCHEAKT1PDPK1PHLPP1ILK
SCHEMBL6391861 0.64 HPGD (0.47) BCHEAKT1PDE4DOPRM1
SCHEMBL968698 0.64 KDM4E (0.33) PDE4DCCR5OPRM1
SCHEMBL967506 0.63 CCR5 (0.33) PDE4DCCR5OPRM1

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 PTPN1 3023/4885OSBP 3258/4885BCHE 628/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS PTPN1 3925/4885OSBP 3715/4885BCHE 330/4885

“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.