SCHEMBL4859043

SCHEMBL4859043

O[C@H]1c2ccccc2C=C[C@@H]1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SIGMAR1 Q99720 6/20 0.37
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX4 Q99571 1/20 0.35
RET P07949 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL14074089 1.00 PDPK1 (0.37) PDPK1MTORHTR1ASLC6A2SLC6A4
SCHEMBL6678390 0.87 IDO1 (0.39) HTR6ALDH1A1P2RX4
SCHEMBL4859955 0.87 IDO1 (0.39) HTR6ALDH1A1P2RX4
SCHEMBL4852823 0.82 LMNA (0.40) SLC6A2SLC6A3SIGMAR1TSHRHTR6
SCHEMBL14074047 0.82 LMNA (0.40) SLC6A2SLC6A3SIGMAR1TSHRHTR6
SCHEMBL13998266 0.79 RET (0.40) SLC6A2SLC6A3SIGMAR1TSHRHTR6
SCHEMBL13998267 0.78 CYP3A4 (0.39) TSHRHTR6ALDH1A1RET
SCHEMBL4859848 0.78 CYP2D6 (0.34) HTR6RET
SCHEMBL4882111 0.78 CYP2D6 (0.34) HTR6RET
SCHEMBL13998259 0.78 CYP2D6 (0.34) HTR6RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
US-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
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-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

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 PDPK1 1513/4885MTOR 3087/4885HTR1A 2363/4885
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 PDPK1 104/4885MTOR 1525/4885HTR1A 1018/4885
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 PDPK1 1457/4885MTOR 3153/4885HTR1A 2480/4885

“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.