SCHEMBL9011652

SCHEMBL9011652

Cc1ccc(OCCCCCCOc2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.65
DRD4 P21917 6/20 0.65
DRD3 P35462 6/20 0.65
L3MBTL1 Q9Y468 1/20 0.57
KCNH2 Q12809 2/20 0.55
GAA P10253 1/20 0.54
NR5A1 Q13285 1/20 0.54
KCNA3 P22001 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL9011831 1.00 DRD2 (0.65) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL3805304 0.97 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL5929468 0.92 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL12122194 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1
SCHEMBL22207170 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1
SCHEMBL22207285 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1
SCHEMBL20530526 0.91 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL21167283 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1
SCHEMBL13991627 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1
SCHEMBL7761726 0.91 NR5A1 (0.68) DRD2DRD4DRD3GAANR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 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 (1 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-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B DRD2 297/4885DRD4 1048/4885DRD3 582/4885

“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.