SCHEMBL4854364

SCHEMBL4854364

COC1CCc2ccccc2C1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
PDPK1 O15530 1/20 0.46
PIN1 Q13526 1/20 0.41
SRD5A1 P18405 2/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP11B2 P19099 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL14065441 1.00 IDO1 (0.46) IDO1PDPK1PIN1SRD5A1SLC6A2
SCHEMBL16866691 0.82 HTR2A (0.47) IDO1PDPK1CYP2D6
SCHEMBL10283375 0.81 DRD2 (0.47) IDO1PDPK1PIN1SRD5A1CYP11B2
SCHEMBL12452014 0.81 DRD2 (0.47) IDO1PDPK1PIN1SRD5A1CYP11B2
SCHEMBL13998258 0.80 IDO1 (0.44) IDO1PDPK1PIN1SRD5A1CYP11B2
SCHEMBL15375784 0.80 IDO1 (0.49) IDO1PDPK1PIN1SLC6A2SLC6A4
SCHEMBL783972 0.80 IDO1 (0.49) IDO1PDPK1PIN1SRD5A1SIGMAR1
SCHEMBL17145170 0.77 PRCP (0.44) IDO1PDPK1PIN1SRD5A1CYP2D6
SCHEMBL802812 0.77 PRCP (0.44) IDO1PDPK1PIN1SRD5A1CYP2D6
SCHEMBL12452306 0.77 PRCP (0.44) IDO1PDPK1PIN1SRD5A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
US-7420003-B2 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids ASTRAZENECA AB (SE) 2008-09-02 US disclosed
US-20050014721-A1 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids FAGNOU KEITH (CA) 2005-01-20 US disclosed
EP-1498406-A1 Novel hydronaphthalene compounds, prepared by a rhodium catalysed ring opening reaction in the presence of phosphine ligand AstraZeneca AB (SE) 2005-01-19 EP disclosed
EP-1228024-B1 NOVEL HYDRONAPHTHALENE COMPOUNDS, PREPARED BY A RHODIUM CATALYZED RING OPENING REACTION IN THE PRESENCE OF PHOSPHINE LIGAND ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
US-6784210-B2 DECYCLIZATION OF OXABENZONORBORNADIENES OR AZABICYCLIC COMPOUNDS IN THE PRESENCE OF CATALYSTS TO FORM NAPHTHALENES, SUCH AS 2-METHOXY-1,2-DIHYDRONAPHTHALEN-1-OL, USED AS ANALGESICS, ANTICARCINOGENS OR VIRICIDES; CATALYSIS ASTRAZENECA AB (SE) 2004-08-31 US disclosed
US-20030144275-A1 Decyclization of oxabenzonorbornadienes or azabicyclic compounds in the presence of catalysts to form naphthalenes, such as 2-methoxy-1,2-dihydronaphthalen-1-ol, used as analgesics, anticarcinogens or viricides; catalysis ASTRAZENECA AB (SE) 2003-07-31 US disclosed
US-6525068-B1 Such as 2-pyrrolidin-1-yl-1,2-dihydro-naphthalen-1-ol; reac-tion of oxabenzonorbornadienes with nucleophiles; pain, parkinson's disease, cancer, aids ASTRAZENECA AB (SE) 2003-02-25 US disclosed
EP-1228024-A1 NOVEL HYDRONAPHTALENE COMPOUNDS, PREPARED BY A RHODIUM CATALYZED RING OPENING REACTION IN THE PRESENCE OF PHOSPHINE LIGAND AstraZeneca AB (SE) 2002-08-07 EP disclosed
WO-2001030734-A1 NOVEL HYDRONAPHTALENE COMPOUNDS, PREPARED BY A RHODIUM CATALYZED RING OPENING REACTION IN THE PRESENCE OF PHOSPHINE LIGAND ASTRAZENECA AB (SE) 2001-05-03 WO 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 (3 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-20080300271-A1 Novel compounds and a novel process for their preparation NUDT1, NCL, NUCB2 IDO1 3275/4885PDPK1 1513/4885PIN1 913/4885
US-20050014721-A1 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids PARK7, OPRD1, OPRK1 IDO1 212/4885PDPK1 104/4885PIN1 741/4885
US-20030144275-A1 Decyclization of oxabenzonorbornadienes or azabicyclic compounds in the presence of catalysts to form naphthalenes, such as 2-methoxy-1,2-dihydronaphthalen-1-ol, used as analgesics, anticarcinogens or viricides; catalysis DDT, HPD, DHODH IDO1 293/4885PDPK1 1457/4885PIN1 1075/4885

“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.