SCHEMBL4862023

SCHEMBL4862023

CO[C@H]1C=Cc2ccccc2[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
RET P07949 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
P2RX4 Q99571 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL13998263 1.00 CYP2D6 (0.39) CYP2D6RETBRD4CCL2HTR2A
SCHEMBL12951634 1.00 CYP2D6 (0.39) CYP2D6RETBRD4CCL2HTR2A
SCHEMBL14074341 1.00 CYP2D6 (0.39) CYP2D6RETBRD4CCL2HTR2A
SCHEMBL13998273 0.83 POLB (0.45) CYP2D6RETBRD4CCL2HTR6
SCHEMBL14011231 0.83 POLB (0.45) CYP2D6RETBRD4CCL2HTR6
SCHEMBL7630048 0.83 POLB (0.45) CYP2D6RETBRD4CCL2HTR6
SCHEMBL13998272 0.81 CYP2D6 (0.36) CYP2D6HTR2AHTR6SIGMAR1
SCHEMBL4852835 0.81 CYP2D6 (0.33) CYP2D6RETHTR2AHTR6SIGMAR1
SCHEMBL4852823 0.81 LMNA (0.40) CYP2D6RETHTR2AHTR6SIGMAR1
SCHEMBL14011699 0.81 CYP2D6 (0.36) CYP2D6HTR2AHTR6SIGMAR1

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 16 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
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 CYP2D6 776/4885RET 1010/4885BRD4 3389/4885
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 CYP2D6 500/4885RET 1557/4885BRD4 3269/4885
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 CYP2D6 49/4885RET 1418/4885BRD4 2707/4885

“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.