SCHEMBL318384

SCHEMBL318384

COc1ccc(C2Cc3c(OS(=O)(=O)C(F)(F)F)cc(OC)cc3C3CCCC23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.36
DRD3 P35462 7/20 0.36
DRD4 P21917 6/20 0.36
DRD1 P21728 5/20 0.36
DRD5 P21918 5/20 0.36
HTR5A P47898 1/20 0.33
MAP2K3 P46734 1/20 0.33
HTR1D P28221 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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
SCHEMBL10109167 1.00 DRD2 (0.36) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10109231 0.98 DRD2 (0.36) DRD2DRD3DRD4DRD1DRD5
SCHEMBL318998 0.98 DRD2 (0.36) DRD2DRD3DRD4DRD1DRD5
SCHEMBL318064 0.84 CYP3A4 (0.43) MAP2K3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10108896 0.84 CYP3A4 (0.43) MAP2K3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL319089 0.76 ESR1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10109158 0.76 ESR1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10123219 0.75 DRD2 (0.30) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10109246 0.75 SMN1; SMN2 (0.39)
SCHEMBL319593 0.75 SMN1; SMN2 (0.39)

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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 (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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG DRD2 2687/4885DRD3 2979/4885DRD4 2916/4885

“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.