SCHEMBL969716

SCHEMBL969716

CC(=O)Oc1c(CC=C(C)C)c2c(c3c1C1CCC3C1)OC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
PDE9A O76083 1/20 0.38
CYP19A1 P11511 3/20 0.35
PSEN1 P49768 2/20 0.34
CYP3A4 P08684 2/20 0.34
PTGS2 P35354 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
TTPA P49638 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31
CCR5 P51681 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL968398 0.83 MEN1 (0.40) PSEN1TTPAMEN1KMT2APDE4A
SCHEMBL968657 0.83 PDE9A (0.41) NUDT1PDE9ACYP19A1PTGS2MAOA
SCHEMBL967680 0.78 CYP19A1 (0.41) NUDT1PDE9ACYP19A1PTGS2MAOA
SCHEMBL969511 0.77 CYP3A4 (0.50) CYP3A4PTGESALOX5MEN1KMT2A
SCHEMBL6243212 0.74 CTSL (0.37) NUDT1PDE9ACYP19A1PTGS2MAOA
SCHEMBL6272505 0.71 CYP3A4 (0.35) CYP3A4PTGESALOX5USP2ALDH1A1
SCHEMBL968424 0.71 ALOX5 (0.45) PTGESALOX5CTSL
SCHEMBL969062 0.69 CCR5 (0.40) CCR5
SCHEMBL970035 0.69 CYP19A1 (0.41) NUDT1PDE9ACYP19A1PTGS2MAOA
SCHEMBL18027843 0.68 CYP19A1 (0.43) NUDT1PDE9ACYP19A1PSEN1CYP3A4

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-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
WO-2005033093-A1 7,8-BICYCLOALKYL-CHROMAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO 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 NUDT1 1930/4885PDE9A 3248/4885CYP19A1 2232/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS NUDT1 1909/4885PDE9A 766/4885CYP19A1 298/4885

“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.