SCHEMBL8764580

SCHEMBL8764580

C=CCN1CCc2cc(OC)ccc2[C@@H]1Cc1ccc(OC)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
KCNH2 Q12809 2/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TBXA2R P21731 1/20 0.45

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
SCHEMBL8765230 1.00 DRD2 (0.55) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL20170872 1.00 DRD2 (0.55) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL11051922 0.89 DRD2 (0.54) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL11926150 0.88 DRD2 (0.59) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL20170801 0.86 DRD2 (0.60) DRD2DRD1KCNH2BCHEACHE
SCHEMBL20170769 0.86 DRD2 (0.60) DRD2DRD1KCNH2BCHEACHE
SCHEMBL20170661 0.85 DRD2 (0.56) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL11052814 0.85 DRD2 (0.56) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL8764588 0.85 DRD2 (0.56) DRD2DRD1KCNH2HCRTR1HCRTR2
SCHEMBL10222658 0.85 DRD2 (0.56) DRD2DRD1KCNH2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527858-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2016-12-27 US disclosed
US-9518062-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2016-12-13 US disclosed
US-20140370005-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS SpecGx LLC 2014-12-18 US disclosed
US-20140370006-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS SpecGx LLC 2014-12-18 US disclosed
US-8829020-B2 Compounds and compositions for use in phototherapy and in treatment of ocular neovascular disease and cancers MALLINCKRODT LLC (US) 2014-09-09 US disclosed
US-20120129879-A1 Compounds and Compositions for Use in Phototherapy and in Treatment of Ocular Neovascular Disease and Cancers MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2012-05-24 US disclosed
WO-2011009020-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS MALLINCKRODT INC. (US) 2011-01-20 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-20140370006-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS VEGFA, OPRL1, OGFR DRD2 587/4885DRD1 644/4885KCNH2 4425/4885
US-20140370005-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN PHOTOTHERAPY AND IN TREATMENT OF OCULAR NEOVASCULAR DISEASE AND CANCERS VEGFA, OPRL1, OGFR DRD2 587/4885DRD1 644/4885KCNH2 4425/4885
US-20120129879-A1 Compounds and Compositions for Use in Phototherapy and in Treatment of Ocular Neovascular Disease and Cancers VEGFA, OPRL1, OGFR DRD2 587/4885DRD1 644/4885KCNH2 4425/4885

“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.