SCHEMBL17016644

SCHEMBL17016644

Cc1ccc2c(c1)C1(CC2=O)CC(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
RAD52 P43351 1/20 0.36
ATM Q13315 1/20 0.36
HSD11B1 P28845 1/20 0.36
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
HTR1D P28221 2/20 0.35
PGR P06401 1/20 0.35
GPR3 P46089 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM1 P11229 5/20 0.34
DRD4 P21917 4/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDK2 Q15119 1/20 0.33
HTR1A P08908 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
SCHEMBL17020540 0.92 HSD11B1 (0.37) KDM4EHSD11B1DRD2DRD3HTR1D
SCHEMBL1091438 0.82 PGR (0.45) KDM4EHSD11B1DRD2DRD3HTR1D
SCHEMBL17016643 0.80 MEN1 (0.42) KDM4EPGRALDH1A1MAOBCA1
SCHEMBL17016648 0.77 NPSR1 (0.37) HSD11B1DRD2DRD3HTR1DGPR3
SCHEMBL15280722 0.76 HTR1D (0.36) HSD11B1DRD2DRD3HTR1DCHRM1
SCHEMBL17016647 0.75 HSD11B1 (0.36) HSD11B1DRD2DRD3HTR1DGPR3
SCHEMBL1807301 0.74 DRD2 (0.39) HSD11B1DRD2DRD3HTR1DCHRM1
SCHEMBL8771675 0.74 DRD2 (0.39) KDM4EHSD11B1DRD2DRD3HTR1D
SCHEMBL31476394 0.73 CXCR2 (0.42) HSD11B1DRD2DRD3HTR1DCHRM1
SCHEMBL18030872 0.72 CHRM1 (0.31) DRD2DRD3CHRM1DRD4

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-9296668-B2 Polymerizable spirobisindane monomers and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-9139674-B2 Rigid and contorted divinyl crosslinkers 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-22 US disclosed
US-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2015-08-27 US disclosed
US-20150232592-A1 RIGID AND CONTORTED DIVINYL CROSSLINKERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-20 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-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM WEE1, PKD1, WEE2 KDM4E 4454/4885RAD52 1346/4885ATM 3530/4885

“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.