SCHEMBL969244

SCHEMBL969244

CC1(C)CCc2c(/C=C3\C(=O)Oc4ccc(O)cc43)c(O)c3c(c2O1)C1CCC3C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.43
MALT1 Q9UDY8 1/20 0.36
CCR5 P51681 1/20 0.36
MAPT P10636 2/20 0.35
PDE4D Q08499 3/20 0.35
PDE9A O76083 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TOP2A P11388 1/20 0.32
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL969245 1.00 TOP1 (0.43) TOP1MALT1CCR5MAPTPDE4D
SCHEMBL1285477 0.85 TOP1 (0.47) TOP1MALT1CCR5MAPTPDE4D
SCHEMBL1285479 0.85 TOP1 (0.47) TOP1MALT1CCR5MAPTPDE4D
SCHEMBL969129 0.73 NAT1 (0.38) CCR5RAB9A
SCHEMBL969128 0.73 NAT1 (0.38) CCR5RAB9A
SCHEMBL968853 0.71 CCR5 (0.32) CCR5
SCHEMBL968854 0.71 CCR5 (0.32) CCR5
SCHEMBL968271 0.71 KAT8 (0.46) MEN1KMT2A
SCHEMBL968272 0.71 KAT8 (0.46) MEN1KMT2A
SCHEMBL968977 0.67 CCR5 (0.41) CCR5

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 TOP1 3056/4885MALT1 3668/4885CCR5 3955/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS TOP1 1904/4885MALT1 1214/4885CCR5 2287/4885

“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.